SCHEMBL6983044

SCHEMBL6983044

N#Cc1ccc(CNC(=O)N2CCCc3cc(NS(=O)(=O)c4ccccc4)ccc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 9/20 0.58
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 3/20 0.48
TP53 P04637 3/20 0.48
ADRB2 P07550 2/20 0.48
ADRB1 P08588 2/20 0.48
ADRB3 P13945 2/20 0.48
PKM P14618 1/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL6981758 0.91 NR3C1 (0.56) NR3C1SMN1; SMN2MAPTTP53ADRB2
SCHEMBL6985317 0.86 NR3C1 (0.58) NR3C1SMN1; SMN2MAPTTP53ADRB2
Hydrochloric Acid SCHEMBL6983739 0.85 NR3C1 (0.58) NR3C1SMN1; SMN2MAPTTP53ADRB2
SCHEMBL6985366 0.84 NR3C1 (0.66) NR3C1MAPTTP53LMNA
SCHEMBL6977969 0.84 NR3C1 (0.56) NR3C1SMN1; SMN2MAPTTP53ADRB2
SCHEMBL6979190 0.83 NR3C1 (0.56) NR3C1SMN1; SMN2MAPTTP53ADRB2
SCHEMBL6976880 0.83 NR3C1 (0.55) NR3C1SMN1; SMN2MAPTTP53PKM
SCHEMBL6980538 0.82 NR3C1 (0.56) NR3C1SMN1; SMN2MAPTTP53LMNA
SCHEMBL6983048 0.82 NAMPT (0.41) NR3C1MAPTTP53PKMLMNA
SCHEMBL6984553 0.80 NR3C1 (0.56) NR3C1MAPTTP53PKMLMNA

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