SCHEMBL6985366

SCHEMBL6985366

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

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 10/20 0.66
RAB9A P51151 1/20 0.57
ALDH1A1 P00352 1/20 0.56
TP53 P04637 3/20 0.55
MAPT P10636 3/20 0.55
LMNA P02545 2/20 0.55
RORC P51449 1/20 0.51

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 SCHEMBL6986078 0.85 NR3C1 (0.67) NR3C1RAB9AALDH1A1TP53MAPT
SCHEMBL6983044 0.84 NR3C1 (0.58) NR3C1TP53MAPTLMNA
SCHEMBL6985317 0.84 NR3C1 (0.58) NR3C1TP53MAPTLMNA
SCHEMBL6984550 0.84 NR3C1 (0.56) NR3C1RAB9AALDH1A1TP53MAPT
SCHEMBL6984553 0.84 NR3C1 (0.56) NR3C1RAB9AALDH1A1TP53MAPT
SCHEMBL6980538 0.84 NR3C1 (0.56) NR3C1ALDH1A1TP53MAPTLMNA
SCHEMBL6981758 0.83 NR3C1 (0.56) NR3C1TP53MAPTLMNA
SCHEMBL6977969 0.82 NR3C1 (0.56) NR3C1ALDH1A1TP53MAPT
SCHEMBL6979190 0.82 NR3C1 (0.56) NR3C1ALDH1A1TP53MAPTLMNA
SCHEMBL6982976 0.82 NR3C1 (0.54) NR3C1TP53MAPTLMNARORC

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