SCHEMBL6074745

SCHEMBL6074745

COc1cc2c(cc1CN[C@H]1CCCN(CC3CCC(=O)N3)[C@@H]1c1ccccc1)N(C)C(=O)CC2

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 14/20 0.48
TRIM24 O15164 1/20 0.39
CYP2D6 P10635 3/20 0.38
TRPV1 Q8NER1 5/20 0.37

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
SCHEMBL6073483 1.00 TACR1 (0.48) TACR1TRIM24CYP2D6TRPV1
SCHEMBL6074742 1.00 TACR1 (0.48) TACR1TRIM24CYP2D6TRPV1
SCHEMBL6073400 1.00 TACR1 (0.48) TACR1TRIM24CYP2D6TRPV1
SCHEMBL6073479 1.00 TACR1 (0.48) TACR1TRIM24CYP2D6TRPV1
SCHEMBL6073399 1.00 TACR1 (0.48) TACR1TRIM24CYP2D6TRPV1
SCHEMBL6074448 0.87 TACR1 (0.51) TACR1TRIM24CYP2D6TRPV1
SCHEMBL6073577 0.87 TACR1 (0.51) TACR1TRIM24CYP2D6TRPV1
SCHEMBL6073353 0.86 TACR1 (0.49) TACR1TRIM24CYP2D6TRPV1
SCHEMBL6073355 0.86 TACR1 (0.49) TACR1TRIM24CYP2D6TRPV1
SCHEMBL6073787 0.86 TACR1 (0.50) TACR1TRIM24CYP2D6TRPV1

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