SCHEMBL2456264

SCHEMBL2456264

COCc1ccc(C(=O)NC2Cc3cccnc3C2)cn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 5/20 0.41
SCN5A Q14524 3/20 0.40
SCN9A Q15858 3/20 0.40
KCNH2 Q12809 2/20 0.40
NAMPT P43490 4/20 0.39
GABRA5 P31644 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
CNR1 P21554 1/20 0.39
GRM5 P41594 1/20 0.38

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
SCHEMBL2456209 0.89 GRM5 (0.44) NAMPTALDH1A1HPGDTSHRGRM5
SCHEMBL2460059 0.84 NAMPT (0.48) CHRM4NAMPTGABRA5
SCHEMBL3802173 0.80 ALDH1A1 (0.47) ALDH1A1HPGDTSHRGRM5
SCHEMBL3802170 0.80 ALDH1A1 (0.47) ALDH1A1HPGDTSHRGRM5
SCHEMBL2460465 0.80 SCN5A (0.40) SCN5ASCN9AKCNH2ALDH1A1HPGD
SCHEMBL2456720 0.76 RAB9A (0.50) CHRM4NAMPTGRM5
SCHEMBL2456147 0.76 CA12 (0.50) CHRM4NAMPT
SCHEMBL2456130 0.73 GRM5 (0.46) NAMPTALDH1A1HPGDTSHRGRM5
SCHEMBL2454254 0.72 MTNR1A (0.53) CHRM4
SCHEMBL3950709 0.71 BAZ2B (0.49) GABRA5HPGDTSHRGRM5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534277-B1 ACYLATED, HETEROARYL-CONDENSED CYCLOALKENYLAMINES AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS DEUTSCHLAND (DE) 2011-09-14 EP disclosed
EP-1534277-B1 ACYLATED, HETEROARYL-CONDENSED CYCLOALKENYLAMINES AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS DEUTSCHLAND (DE) 2011-09-14 EP disclosed
EP-1534277-A1 ACYLATED, HETEROARYL-CONDENSED CYCLOALKENYLAMINES AND THEIR USE AS PHARMACEUTICALS Aventis Pharma Deutschland GmbH (DE) 2005-06-01 EP disclosed
WO-2004014372-A1 ACYLATED, HETEROARYL-CONDENSED CYCLOALKENYLAMINES AND THEIR USE AS PHARMACEUTICALS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-19 WO disclosed
EP-1388342-A1 Acylated, heteroaryl-condensed cycloalkenylamines and their use as pharmaceuticals Aventis Pharma Deutschland GmbH (DE) 2004-02-11 EP disclosed