SCHEMBL6985317

SCHEMBL6985317

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

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 10/20 0.58
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 3/20 0.48
TP53 P04637 3/20 0.48
LMNA P02545 1/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47

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
SCHEMBL6977969 0.98 NR3C1 (0.56) NR3C1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6984210 0.95 KMT2A (0.55) NR3C1MEN1KMT2AADRB2ADRB1
SCHEMBL6976398 0.94 NR3C1 (0.51) NR3C1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL6985746 0.91 KMT2A (0.56) NR3C1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6984755 0.91 TP53 (0.56) NR3C1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6985865 0.91 MAPT (0.56) NR3C1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6982759 0.91 BRD4 (0.53) NR3C1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6983499 0.91 NR3C1 (0.59) NR3C1SMN1; SMN2KMT2AMAPTTP53
SCHEMBL6986976 0.91 ADRB2 (0.58) NR3C1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6984033 0.91 TP53 (0.56) NR3C1SMN1; SMN2MEN1KMT2AMAPT

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