SCHEMBL14065388

SCHEMBL14065388

Cc1ccc([C@H]2CCC[C@@H](c3ccc(C)cc3)N2C(=N)N)cc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.49
MAOA P21397 5/20 0.49
CYP19A1 P11511 2/20 0.41
EGFR P00533 3/20 0.37
SLC18A3 Q16572 1/20 0.36

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
SCHEMBL14065394 1.00 MAOB (0.49) MAOBMAOACYP19A1EGFRSLC18A3
SCHEMBL14065392 0.82 HPGD (0.42) MAOBMAOA
SCHEMBL14074025 0.81 MAOB (0.39) MAOBMAOACYP19A1EGFRSLC18A3
Hydrochloric Acid SCHEMBL16610762 0.79 MAOA (0.46) MAOBMAOACYP19A1
Hydrochloric Acid SCHEMBL16610587 0.79 MAOA (0.46) MAOBMAOACYP19A1
SCHEMBL14065399 0.74 MAOB (0.41) MAOBMAOA
SCHEMBL29356757 0.69 TRPC3 (0.48) MAOBMAOA
SCHEMBL14065393 0.68 CYP19A1 (0.43) MAOBMAOACYP19A1SLC18A3
SCHEMBL13162081 0.67 CHRNB2 (0.69)
SCHEMBL21399970 0.67 CHRNB2 (0.69)

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
US-7423059-B2 Pharmaceutically active compounds and methods of use WYETH (US) 2008-09-09 US disclosed
US-7423059-B2 Pharmaceutically active compounds and methods of use WYETH (US) 2008-09-09 US disclosed