SCHEMBL6074280

SCHEMBL6074280

COc1cc2c(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)N(C)C(=O)C2(C)C

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.62
CYP2D6 P10635 3/20 0.59

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
SCHEMBL6074275 1.00 TACR1 (0.62) TACR1CYP2D6
SCHEMBL6073962 0.96 TACR1 (0.62) TACR1CYP2D6
SCHEMBL6073964 0.96 TACR1 (0.62) TACR1CYP2D6
Hydrochloric Acid SCHEMBL6603801 0.96 TACR1 (0.61) TACR1CYP2D6
SCHEMBL6073929 0.90 TACR1 (0.58) TACR1CYP2D6
SCHEMBL6074270 0.90 TACR1 (0.58) TACR1CYP2D6
Hydrochloric Acid SCHEMBL6074164 0.89 TACR1 (0.57) TACR1CYP2D6
Hydrochloric Acid SCHEMBL6074159 0.89 TACR1 (0.57) TACR1CYP2D6
SCHEMBL6073830 0.87 TACR1 (0.61) TACR1CYP2D6
SCHEMBL6073826 0.87 TACR1 (0.61) TACR1CYP2D6

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