SCHEMBL6982759

SCHEMBL6982759

N#Cc1ccc(CCC(=O)N2CCCc3cc(NS(=O)(=O)c4ccc(F)cc4)ccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.53
CREBBP Q92793 1/20 0.53
NR3C1 P04150 8/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 4/20 0.50
LMNA P02545 2/20 0.50
TP53 P04637 2/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
FPR1 P21462 2/20 0.47
FPR2 P25090 2/20 0.47
PKM P14618 1/20 0.47
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
DRD3 P35462 1/20 0.46
HTR6 P50406 1/20 0.46

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
SCHEMBL6984755 0.91 TP53 (0.56) NR3C1SMN1; SMN2MAPTLMNATP53
SCHEMBL6985746 0.91 KMT2A (0.56) BRD4CREBBPNR3C1SMN1; SMN2MAPT
SCHEMBL6985865 0.91 MAPT (0.56) NR3C1SMN1; SMN2MAPTLMNATP53
SCHEMBL6985317 0.91 NR3C1 (0.58) NR3C1SMN1; SMN2MAPTLMNATP53
SCHEMBL6977969 0.90 NR3C1 (0.56) NR3C1SMN1; SMN2MAPTTP53MEN1
SCHEMBL6981763 0.90 BRD4 (0.54) BRD4CREBBPNR3C1SMN1; SMN2MAPT
SCHEMBL6981579 0.89 NR3C1 (0.60) NR3C1SMN1; SMN2MAPTLMNATP53
SCHEMBL6982160 0.87 NR3C1 (0.61) NR3C1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL6977840 0.86 NR3C1 (0.53) BRD4CREBBPNR3C1SMN1; SMN2MAPT
SCHEMBL6986976 0.86 ADRB2 (0.58) NR3C1SMN1; SMN2LMNAMEN1KMT2A

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