SCHEMBL6979870

SCHEMBL6979870

N#Cc1ccc(CCC(=O)N2CCCc3cc(NCc4cccc5ccccc45)ccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.44
ALOX5 P09917 1/20 0.43
EPHX2 P34913 1/20 0.43
TP53 P04637 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PARP1 P09874 1/20 0.41
FPR1 P21462 2/20 0.41
FPR2 P25090 2/20 0.41
GFER P55789 1/20 0.39
NR3C1 P04150 1/20 0.38
DPP4 P27487 1/20 0.38
FFAR1 O14842 1/20 0.37

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
SCHEMBL6985994 0.88 POLB (0.43) RAB9ATP53MEN1USP2ALDH1A1
SCHEMBL6976871 0.88 FFAR1 (0.49) RAB9ATP53MEN1USP2ALDH1A1
Hydrochloric Acid SCHEMBL6979253 0.87 ALOX5 (0.42) RAB9AALOX5EPHX2TP53ALDH1A1
SCHEMBL6976631 0.87 HSD17B3 (0.46) RAB9ATP53MEN1USP2ALDH1A1
SCHEMBL7090378 0.86 TP53 (0.47) RAB9ATP53MEN1USP2ALDH1A1
SCHEMBL7407513 0.84 RAB9A (0.44) RAB9AMEN1USP2ALDH1A1HPGD
SCHEMBL6977885 0.84 NR3C1 (0.48) TSHRNR3C1
SCHEMBL6984100 0.83 TP53 (0.41) RAB9ATP53MEN1USP2ALDH1A1
SCHEMBL6980091 0.82 TP53 (0.40) RAB9ATP53MEN1USP2ALDH1A1
SCHEMBL6977072 0.82 FPR1 (0.39) RAB9ATP53MEN1USP2ALDH1A1

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