SCHEMBL6981758

SCHEMBL6981758

N#Cc1ccc(CCNC(=O)N2CCCc3cc(NS(=O)(=O)c4ccccc4)ccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 10/20 0.56
ADRB2 P07550 3/20 0.49
ADRB1 P08588 3/20 0.49
ADRB3 P13945 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 3/20 0.47
TP53 P04637 2/20 0.47
PKM P14618 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL6983044 0.91 NR3C1 (0.58) NR3C1ADRB2ADRB1ADRB3SMN1; SMN2
SCHEMBL6985317 0.88 NR3C1 (0.58) NR3C1ADRB2ADRB1ADRB3SMN1; SMN2
SCHEMBL6977969 0.86 NR3C1 (0.56) NR3C1ADRB2ADRB1ADRB3SMN1; SMN2
SCHEMBL6976880 0.85 NR3C1 (0.55) NR3C1SMN1; SMN2MAPTTP53PKM
SCHEMBL6985366 0.83 NR3C1 (0.66) NR3C1MAPTTP53LMNA
SCHEMBL6984210 0.82 KMT2A (0.55) NR3C1ADRB2ADRB1ADRB3
SCHEMBL6979190 0.82 NR3C1 (0.56) NR3C1ADRB2ADRB1ADRB3SMN1; SMN2
SCHEMBL6976398 0.82 NR3C1 (0.51) NR3C1SMN1; SMN2TP53
SCHEMBL6986976 0.81 ADRB2 (0.58) NR3C1ADRB2ADRB1ADRB3SMN1; SMN2
SCHEMBL6980538 0.81 NR3C1 (0.56) NR3C1SMN1; SMN2MAPTTP53LMNA

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-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed
US-6300342-B1 FOR THERAPY OR INHIBITING THROMBUS FORMATION; FOR THERAPY OF FIBRIN-DEPENDENT INFLAMMATORY CONDITION BOEHRINGER INGELHEIM PHARM KG (DE) 2001-10-09 US disclosed
EP-0991624-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT Boehringer Ingelheim Pharma KG (DE) 2000-04-12 EP disclosed
WO-1999000371-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-01-07 WO disclosed