SCHEMBL7359666

SCHEMBL7359666

N#Cc1ccc(CC(N)c2cccc(C#N)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.47
CNR1 P21554 15/20 0.45
CNR2 P34972 10/20 0.45
FFAR1 O14842 1/20 0.41
GRM4 Q14833 1/20 0.40

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
SCHEMBL17266185 0.90 SLC6A2 (0.49) CNR1CNR2GRM4
SCHEMBL6331351 0.90 SLC6A2 (0.49) CNR1CNR2GRM4
SCHEMBL4749300 0.86 LOXL2 (0.43) LOXL2FFAR1
SCHEMBL7359657 0.84 SLC6A2 (0.46) LOXL2FFAR1
SCHEMBL7363757 0.83 KCNJ1 (0.51) LOXL2CNR1CNR2
SCHEMBL4748456 0.83 CYP1A2 (0.51) LOXL2
SCHEMBL7364388 0.81 SLC6A2 (0.56) CNR1GRM4
SCHEMBL29013128 0.80 GRM4 (0.44) LOXL2GRM4
SCHEMBL6420556 0.78 S1PR1 (0.43) CNR1CNR2FFAR1GRM4
SCHEMBL22395446 0.78 GRM4 (0.49) GRM4

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-0892780-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-27 EP disclosed
WO-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO disclosed