SCHEMBL7963890

SCHEMBL7963890

C=CCOC(=O)Cc1ccc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 4/20 0.40
TSHR P16473 2/20 0.40
LIG1 P18858 1/20 0.35
RHOA P61586 1/20 0.35
MAPK1 P28482 3/20 0.35
ALOX15 P16050 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 3/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4018484 0.78 PKM (0.49) PKMSMN1; SMN2ALDH1A1HSD17B10TSHR
SCHEMBL4012449 0.78 PKM (0.49) PKMSMN1; SMN2ALDH1A1HSD17B10TSHR
SCHEMBL10813508 0.77 TSHR (0.36) SMN1; SMN2ALDH1A1HSD17B10TSHRMAPK1
SCHEMBL10511460 0.77 ALDH1A1 (0.40) PKMSMN1; SMN2ALDH1A1HSD17B10TSHR
SCHEMBL29225340 0.74 ALDH1A1 (0.64) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL4802900 0.74 TSHR (0.45) SMN1; SMN2ALDH1A1HSD17B10TSHRALOX15
SCHEMBL1325170 0.73 CYP3A4 (0.56) CYP3A4SMN1; SMN2ALDH1A1HSD17B10TSHR
SCHEMBL17386357 0.73 CYP3A4 (0.50) CYP3A4NPSR1PKMSMN1; SMN2ALDH1A1
SCHEMBL203679 0.73 ALDH1A1 (0.61) CYP3A4NPSR1PKMSMN1; SMN2ALDH1A1
SCHEMBL17226138 0.72 GAA (0.35) CYP3A4PKMSMN1; SMN2ALDH1A1HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0213506-B1 Saturated cycloalkyl[c]pyrrole-2(1H)-acetic acid amides and derivatives thereof WARNER-LAMBERT COMPANY (US) 1989-02-15 EP claimed
EP-0213506-A1 Saturated cycloalkyl[c]pyrrole-2(1H)-acetic acid amides and derivatives thereof WARNER-LAMBERT COMPANY (US) 1987-03-11 EP claimed
US-6255490-B1 TREATING DISORDERS ASSOCIATED WITH CHANGES IN CHOLINERGIC ACTIVITY; NON-OPIATE BASED ANALGESIC FOR MODERATE TO SEVERE PAIN EQUALLY OR EXCEEDING THE POTENCY OF OPIATE ANALGESICS, YET LACKING ADDICTIVE SIDE EFFECTS UNIVERSITY OF VIRGINIA 2001-07-03 US disclosed
US-6117889-A 7-Azabicyclo-[2.2.1]-heptane and -heptene derivatives as analgesics and anti-inflammatory agents UNIVERSITY OF VIRGINIA (US) 2000-09-12 US disclosed
US-6060473-A 7-azabicyclo[2.2.1]-heptane and -heptene derivatives as cholinergic receptor ligands UCB S.A. - DTB (BE) 2000-05-09 US disclosed
EP-0778835-A4 7-AZABICYCLO 2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS CHOLINERGIC RECEPTOR LIGANDS UNIV VIRGINIA (US) 1999-02-03 EP disclosed
US-5817679-A ANALGESICS, ANTIINFLAMMATORY AGENTS UNIVERSITY OF VIRGINIA (US) 1998-10-06 US disclosed
EP-0778835-A1 7-AZABICYCLO 2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS CHOLINERGIC RECEPTOR LIGANDS UNIVERSITY OF VIRGINIA (US) 1997-06-18 EP disclosed
WO-1996006093-A1 7-AZABICYCLO[2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS CHOLINERGIC RECEPTOR LIGANDS UNIVERSITY OF VIRGINIA (US) 1996-02-29 WO disclosed
EP-0691971-A1 7-AZABICYCLO- 2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS ANALGESICS AND ANTI-INFLAMMATORY AGENTS UNIVERSITY OF VIRGINIA (US) 1996-01-17 EP disclosed
WO-1994022868-A1 7-AZABICYCLO-[2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS ANALGESICS AND ANTI-INFLAMMATORY AGENTS UNIVERSITY OF VIRGINIA (US) 1994-10-13 WO disclosed
EP-0213506-B1 Saturated cycloalkyl[c]pyrrole-2(1H)-acetic acid amides and derivatives thereof WARNER-LAMBERT COMPANY (US) 1989-02-15 EP disclosed
EP-0213506-A1 Saturated cycloalkyl[c]pyrrole-2(1H)-acetic acid amides and derivatives thereof WARNER-LAMBERT COMPANY (US) 1987-03-11 EP disclosed
US-4621097-A COGNITION ACTIVATORS WARNER-LAMBERT COMPANY (US) 1986-11-04 US disclosed
US-4528382-A Imidoyl substituted pyrroles MCNEILAB, INC. (US) 1985-07-09 US disclosed
US-4528382-A Imidoyl substituted pyrroles MCNEILAB, INC. (US) 1985-07-09 US disclosed