SCHEMBL6974898

SCHEMBL6974898

N#Cc1ccc(CCC(=O)N2CCCc3cc(NS(=O)(=O)c4ccccc4)ccc32)c(N)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.52
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 3/20 0.45
TP53 P04637 3/20 0.45
LMNA P02545 1/20 0.44
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
ADRB3 P13945 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.43
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43

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
SCHEMBL7085527 0.89 NR3C1 (0.51) NR3C1SMN1; SMN2MAPTTP53LMNA
SCHEMBL6985317 0.87 NR3C1 (0.58) NR3C1SMN1; SMN2MAPTTP53LMNA
SCHEMBL6983499 0.86 NR3C1 (0.59) NR3C1SMN1; SMN2MAPTTP53LMNA
SCHEMBL6977969 0.85 NR3C1 (0.56) NR3C1SMN1; SMN2MAPTTP53ADRB2
SCHEMBL6974903 0.85 TP53 (0.39) NR3C1MAPTTP53LMNAKMT2A
SCHEMBL6984210 0.82 KMT2A (0.55) NR3C1ADRB2ADRB1ADRB3KMT2A
SCHEMBL7963390 0.82 NR3C1 (0.54) NR3C1SMN1; SMN2MAPTTP53LMNA
SCHEMBL6976398 0.81 NR3C1 (0.51) NR3C1SMN1; SMN2TP53KMT2AMEN1
SCHEMBL6980538 0.80 NR3C1 (0.56) NR3C1SMN1; SMN2MAPTTP53LMNA
SCHEMBL6982947 0.80 MEN1 (0.47) NR3C1SMN1; SMN2MAPTTP53LMNA

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