SCHEMBL6074448

SCHEMBL6074448

CCCN1CCC[C@H](NCc2cc3c(cc2OC)CCC(=O)N3C)[C@@H]1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 14/20 0.51
TRIM24 O15164 1/20 0.43
TRPV1 Q8NER1 5/20 0.40
CYP2D6 P10635 3/20 0.40

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
SCHEMBL6073577 1.00 TACR1 (0.51) TACR1TRIM24TRPV1CYP2D6
SCHEMBL6073787 0.93 TACR1 (0.50) TACR1TRIM24TRPV1CYP2D6
Hydrochloric Acid SCHEMBL6073601 0.92 TACR1 (0.49) TACR1TRIM24TRPV1CYP2D6
Hydrochloric Acid SCHEMBL6073598 0.92 TACR1 (0.49) TACR1TRIM24TRPV1CYP2D6
SCHEMBL6074476 0.91 TACR1 (0.49) TACR1TRIM24TRPV1CYP2D6
Hydrochloric Acid SCHEMBL6074144 0.90 TACR1 (0.48) TACR1TRIM24TRPV1CYP2D6
Hydrochloric Acid SCHEMBL6074145 0.90 TACR1 (0.48) TACR1TRIM24TRPV1CYP2D6
SCHEMBL6073355 0.88 TACR1 (0.49) TACR1TRIM24TRPV1CYP2D6
SCHEMBL6073353 0.88 TACR1 (0.49) TACR1TRIM24TRPV1CYP2D6
SCHEMBL6073747 0.87 TACR1 (0.49) TACR1TRIM24TRPV1CYP2D6

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