SCHEMBL6981289

SCHEMBL6981289

N#Cc1ccc(CCC(=O)N2CCCc3ccc(NS(=O)(=O)Cc4ccccc4)cc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.49
FPR1 P21462 2/20 0.42
FPR2 P25090 2/20 0.42
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
OGG1 O15527 2/20 0.41
AR P10275 1/20 0.41
IMPDH2 P12268 1/20 0.40
FSHR P23945 1/20 0.40
TP53 P04637 2/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 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
SCHEMBL6985562 0.94 NR3C1 (0.56) NR3C1FPR1FPR2TSHRMEN1
SCHEMBL6976398 0.90 NR3C1 (0.51) NR3C1MEN1KMT2AOGG1AR
SCHEMBL6987626 0.88 NR3C1 (0.64) NR3C1FPR1FPR2TSHRMEN1
Hydrochloric Acid SCHEMBL6983109 0.85 NR3C1 (0.47) NR3C1HPGDOGG1FSHRTP53
SCHEMBL6984828 0.84 NR3C1 (0.56) NR3C1MEN1ALDH1A1KMT2AFSHR
SCHEMBL6985317 0.83 NR3C1 (0.58) NR3C1MEN1KMT2ATP53MAPT
SCHEMBL6977969 0.81 NR3C1 (0.56) NR3C1MEN1ALDH1A1KMT2ATP53
SCHEMBL6985566 0.81 PARP14 (0.40) NR3C1FPR1FPR2TSHRMEN1
SCHEMBL6982938 0.81 NR3C1 (0.51) NR3C1FPR1FPR2MEN1ALDH1A1
SCHEMBL7960284 0.81 NR3C1 (0.47) NR3C1MEN1KMT2ATP53MAPT

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