SCHEMBL6851404

SCHEMBL6851404

O=C(NCC1CC2CC1CN2)c1ccc2cccn2c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 11/20 0.33
CHRNA7 P36544 1/20 0.33
ADRB1 P08588 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
CHRM3 P20309 1/20 0.31
OPRM1 P35372 3/20 0.31
OPRD1 P41143 2/20 0.31
OPRK1 P41145 2/20 0.31

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
SCHEMBL6417110 0.82 CHRNA7 (0.44) NAMPTCHRNA7KDM4E
SCHEMBL6851401 0.71
SCHEMBL6413063 0.70 CHRNA7 (0.41) CHRNA7
SCHEMBL6415882 0.70 CHRNA7 (0.40) CHRNA7
SCHEMBL21063818 0.69 HDAC2 (0.57)
SCHEMBL6419147 0.68 CHRNA7 (0.41) CHRNA7KDM4E
SCHEMBL6418898 0.68 EPHX2 (0.40) CHRNA7CHRM3
SCHEMBL6419159 0.68 CHRNA7 (0.38) CHRNA7
SCHEMBL6413482 0.67 NAMPT (0.45) NAMPTCHRNA7
SCHEMBL30147455 0.67 HDAC8 (0.44) CHRNA7HPGD

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-1476449-A1 FUSED BICYCLIC-N-BRIDGED-HETEROAROMATIC CARBOXAMIDES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-11-17 EP disclosed
WO-2003070732-A1 FUSED BICYCLIC-N-BRIDGED-HETEROAROMATIC CARBOXAMIDES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO disclosed