SCHEMBL6987626

SCHEMBL6987626

N#Cc1ccc(CCC(=O)N2CCCc3cc(NS(=O)(=O)CCc4ccccc4)ccc32)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 10/20 0.64
FPR1 P21462 2/20 0.42
FPR2 P25090 2/20 0.42
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAB9A P51151 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 0.94 NR3C1 (0.56) NR3C1FPR1FPR2BRD4CREBBP
SCHEMBL6982938 0.90 NR3C1 (0.51) NR3C1FPR1FPR2BRD4CREBBP
SCHEMBL6982757 0.89 NR3C1 (0.50) NR3C1FPR1FPR2BRD4CREBBP
SCHEMBL6984139 0.89 NR3C1 (0.50) NR3C1BRD4CREBBPMEN1KMT2A
SCHEMBL6985317 0.89 NR3C1 (0.58) NR3C1MEN1KMT2ASMN1; SMN2
SCHEMBL6981289 0.88 NR3C1 (0.49) NR3C1FPR1FPR2MEN1KMT2A
SCHEMBL6977969 0.87 NR3C1 (0.56) NR3C1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7960284 0.86 NR3C1 (0.47) NR3C1BRD4CREBBPMEN1KMT2A
SCHEMBL6976631 0.85 HSD17B3 (0.46) NR3C1FPR1FPR2MEN1KMT2A
SCHEMBL6986003 0.85 RAB9A (0.48) NR3C1FPR1FPR2MEN1KMT2A

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