SCHEMBL6850187

SCHEMBL6850187

CN(C(=O)c1ccc2cccn2c1)[C@@H]1C[C@H]2CCN(C2)C1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.39
USP30 Q70CQ3 2/20 0.37
HRH3 Q9Y5N1 7/20 0.36
KCNH2 Q12809 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
MCHR1 Q99705 5/20 0.35
CCR5 P51681 1/20 0.35

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
SCHEMBL6849534 0.84 CHRNA7 (0.38) CHRNA7USP30
SCHEMBL6845650 0.81 CHRNA7 (0.42) CHRNA7USP30HRH3JAK2JAK1
SCHEMBL6849715 0.79 CHRM1 (0.48) CHRNA7JAK2JAK1
SCHEMBL6412566 0.74 CHRNA7 (0.62) CHRNA7
SCHEMBL6412568 0.74 CHRNA7 (0.62) CHRNA7
SCHEMBL6417949 0.74 CHRNA7 (0.62) CHRNA7
SCHEMBL6851401 0.69
SCHEMBL6849998 0.69 CHRNA7 (0.42) CHRNA7
SCHEMBL6849878 0.69 CHRNA7 (0.40) CHRNA7USP30
SCHEMBL6848649 0.69 CHRNA7 (0.42) CHRNA7

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 claimed
WO-2003070732-A1 FUSED BICYCLIC-N-BRIDGED-HETEROAROMATIC CARBOXAMIDES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO claimed