SCHEMBL6075960

SCHEMBL6075960

COc1cc2c(cc1CN[C@H]1CCCN(Cc3ncn(C)c3C)[C@H]1c1ccccc1)N(C)C(=O)CC2

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.45
TRIM24 O15164 1/20 0.38
TRPV1 Q8NER1 5/20 0.38
CYP2D6 P10635 3/20 0.36
PRKG1 Q13976 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
SCHEMBL6075966 1.00 TACR1 (0.45) TACR1TRIM24TRPV1CYP2D6PRKG1
SCHEMBL6074503 0.86 TACR1 (0.44) TACR1TRIM24TRPV1CYP2D6
SCHEMBL6075107 0.86 TACR1 (0.44) TACR1TRIM24TRPV1CYP2D6
SCHEMBL6074093 0.85 TACR1 (0.45) TACR1TRIM24TRPV1CYP2D6
SCHEMBL6073577 0.85 TACR1 (0.51) TACR1TRIM24TRPV1CYP2D6
SCHEMBL6074448 0.85 TACR1 (0.51) TACR1TRIM24TRPV1CYP2D6
SCHEMBL6074408 0.85 TACR1 (0.45) TACR1TRIM24TRPV1CYP2D6PRKG1
SCHEMBL6073787 0.85 TACR1 (0.50) TACR1TRIM24TRPV1CYP2D6
Hydrochloric Acid SCHEMBL7014890 0.84 TACR1 (0.44) TACR1TRIM24TRPV1CYP2D6PRKG1
Hydrochloric Acid SCHEMBL6074542 0.84 TACR1 (0.44) TACR1TRIM24TRPV1CYP2D6PRKG1

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