SCHEMBL6984828

SCHEMBL6984828

NCc1ccc(CCC(=O)N2CCCc3cc(NS(=O)(=O)Cc4ccccc4)ccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 10/20 0.56
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
FSHR P23945 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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 0.90 NR3C1 (0.56) NR3C1BRD4CREBBPSMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL6980925 0.89 NR3C1 (0.55) NR3C1BRD4CREBBPSMN1; SMN2RAB9A
SCHEMBL6982229 0.88 NR3C1 (0.60) NR3C1SMN1; SMN2KMT2AMEN1
SCHEMBL6981833 0.85 NR3C1 (0.51) NR3C1BRD4CREBBPSMN1; SMN2KMT2A
SCHEMBL6987626 0.84 NR3C1 (0.64) NR3C1BRD4CREBBPSMN1; SMN2KMT2A
SCHEMBL6981289 0.84 NR3C1 (0.49) NR3C1SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL6981550 0.83 BRD4 (0.57) NR3C1BRD4CREBBPSMN1; SMN2KMT2A
SCHEMBL6982493 0.82 NR3C1 (0.50) NR3C1BRD4CREBBPSMN1; SMN2
SCHEMBL6984783 0.82 RAB9A (0.64) CREBBPSMN1; SMN2RAB9AALDH1A1
Hydrochloric Acid SCHEMBL6983109 0.82 NR3C1 (0.47) NR3C1CREBBPFSHR

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 2 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