SCHEMBL6940949

SCHEMBL6940949

CC(C)N(CCC(c1cccs1)c1ccccc1OC(=O)/C=C/C(=O)Oc1ccccc1C(CCN(C(C)C)C(C)C)c1cccs1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.41
CHRM1 P11229 3/20 0.41
POLB P06746 4/20 0.39
MAPT P10636 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
ALDH1A1 P00352 3/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
TP53 P04637 4/20 0.38
LMNA P02545 4/20 0.38
THRB P10828 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CHRM5 P08912 2/20 0.35
CHRM3 P20309 2/20 0.35
HRH1 P35367 2/20 0.35
ADRB2 P07550 1/20 0.35
CX3CR1 P49238 1/20 0.35

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
Hydrochloric Acid SCHEMBL27509210 0.83 MAPT (0.43) CHRM2CHRM1POLBMAPTNPSR1
Fumaric Acid SCHEMBL6940942 0.80 POLB (0.43) CHRM2CHRM1POLBMAPTNPSR1
Fumaric Acid SCHEMBL6940952 0.80 POLB (0.43) CHRM2CHRM1POLBMAPTNPSR1
SCHEMBL6937275 0.78 CHRM2 (0.49) CHRM2CHRM1POLBMAPTNPSR1
Fumaric Acid SCHEMBL6938124 0.77 NPSR1 (0.45) POLBMAPTNPSR1ALDH1A1PKM
Fumaric Acid SCHEMBL6938117 0.77 NPSR1 (0.45) POLBMAPTNPSR1ALDH1A1PKM
Fumaric Acid SCHEMBL6941424 0.76 MEN1 (0.41) POLBMAPTNPSR1ALDH1A1PKM
Fumaric Acid SCHEMBL6941440 0.76 MEN1 (0.41) POLBMAPTNPSR1ALDH1A1PKM
SCHEMBL6939848 0.73 HRH1 (0.48) CHRM2CHRM1POLBMAPTNPSR1
Hydrochloric Acid SCHEMBL27511741 0.72 HRH1 (0.47) CHRM2CHRM1POLBMAPTNPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019358-B1 3,3-DIARYLPROPYLAMINES , THEIR USE AND PREPARATION PHARMACIA AB (SE) 2003-05-07 EP disclosed
US-6313132-B1 FOR THERAPY OF URINARY INCONTINENCE, ACETYLCHOLINE-MEDIATED DISORDER PHARMACIA AB (SE) 2001-11-06 US disclosed
EP-1019358-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Pharmacia & Upjohn AB (SE) 2000-07-19 EP disclosed
WO-1998043942-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION PHARMACIA & UPJOHN AB (SE) 1998-10-08 WO disclosed