SCHEMBL6978192

SCHEMBL6978192

N#Cc1ccc(CCC(=O)N2CCCc3cc(NS(=O)(=O)C4CC4)ccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 8/20 0.44
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP30 Q70CQ3 1/20 0.40
FPR1 P21462 2/20 0.40
FPR2 P25090 2/20 0.40
TRIM24 O15164 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL6981030 0.96 NR3C1 (0.43) NR3C1BRD4CREBBPSMN1; SMN2ALDH1A1
SCHEMBL6978505 0.85 BRD4 (0.45) NR3C1BRD4CREBBPSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6980672 0.85 NR3C1 (0.44) NR3C1BRD4CREBBPSMN1; SMN2ALDH1A1
SCHEMBL6985562 0.85 NR3C1 (0.56) NR3C1BRD4CREBBPSMN1; SMN2ALDH1A1
SCHEMBL6982938 0.85 NR3C1 (0.51) NR3C1BRD4CREBBPSMN1; SMN2ALDH1A1
SCHEMBL6985317 0.85 NR3C1 (0.58) NR3C1SMN1; SMN2TP53MEN1KMT2A
SCHEMBL6987626 0.84 NR3C1 (0.64) NR3C1BRD4CREBBPSMN1; SMN2ALDH1A1
SCHEMBL6986432 0.84 TP53 (0.48) NR3C1BRD4CREBBPSMN1; SMN2ALDH1A1
SCHEMBL6984139 0.83 NR3C1 (0.50) NR3C1BRD4CREBBPSMN1; SMN2ALDH1A1
SCHEMBL6984755 0.83 TP53 (0.56) NR3C1SMN1; SMN2ALDH1A1TP53MEN1

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