SCHEMBL6985865

SCHEMBL6985865

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
TP53 P04637 2/20 0.56
LMNA P02545 1/20 0.56
NR3C1 P04150 9/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
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
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL6982759 0.91 BRD4 (0.53) MAPTTP53LMNANR3C1SMN1; SMN2
SCHEMBL6985746 0.91 KMT2A (0.56) MAPTTP53LMNANR3C1SMN1; SMN2
SCHEMBL6984755 0.91 TP53 (0.56) MAPTTP53LMNANR3C1SMN1; SMN2
SCHEMBL6985317 0.91 NR3C1 (0.58) MAPTTP53LMNANR3C1SMN1; SMN2
SCHEMBL6977495 0.91 SMN1; SMN2 (0.49) MAPTTP53LMNANR3C1SMN1; SMN2
SCHEMBL6977969 0.90 NR3C1 (0.56) MAPTTP53NR3C1SMN1; SMN2MEN1
SCHEMBL6981579 0.89 NR3C1 (0.60) MAPTTP53LMNANR3C1SMN1; SMN2
SCHEMBL6982160 0.87 NR3C1 (0.61) MAPTLMNANR3C1SMN1; SMN2MEN1
SCHEMBL6986976 0.86 ADRB2 (0.58) LMNANR3C1SMN1; SMN2MEN1KMT2A
SCHEMBL6984210 0.86 KMT2A (0.55) NR3C1MEN1KMT2ADRD2HTR2A

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