SCHEMBL6075970

SCHEMBL6075970

COc1cc2c(cc1CN[C@H]1CCCN(C(C)c3nc[nH]c3C)[C@H]1c1ccccc1)N(C)C(=O)CC2

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.38
CYP2D6 P10635 4/20 0.37
TRIM24 O15164 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
SCHEMBL6073746 0.86 TACR1 (0.45) TACR1CYP2D6TRIM24
SCHEMBL6073767 0.86 TACR1 (0.45) TACR1CYP2D6TRIM24
SCHEMBL6075107 0.82 TACR1 (0.44) TACR1CYP2D6TRIM24
SCHEMBL6074503 0.82 TACR1 (0.44) TACR1CYP2D6TRIM24
SCHEMBL6073357 0.82 TACR1 (0.40) TACR1CYP2D6TRIM24
SCHEMBL6074093 0.79 TACR1 (0.45) TACR1CYP2D6TRIM24
SCHEMBL6074786 0.79 TACR1 (0.47) TACR1CYP2D6TRIM24
SCHEMBL6074300 0.79 TACR1 (0.47) TACR1CYP2D6TRIM24
SCHEMBL6074448 0.79 TACR1 (0.51) TACR1CYP2D6TRIM24
SCHEMBL6073577 0.79 TACR1 (0.51) TACR1CYP2D6TRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119207-B2 Benzoamide piperidine containing compounds and related compounds PFIZER INC (US) 2006-10-10 US disclosed