SCHEMBL6074786

SCHEMBL6074786

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 12/20 0.47
TRIM24 O15164 1/20 0.43
TRPV1 Q8NER1 6/20 0.41
CYP2D6 P10635 3/20 0.40
CYP3A4 P08684 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 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
SCHEMBL6074300 1.00 TACR1 (0.47) TACR1TRIM24TRPV1CYP2D6CYP3A4
SCHEMBL6074289 0.92 TACR1 (0.47) TACR1TRIM24TRPV1CYP2D6
SCHEMBL6074431 0.90 TACR1 (0.46) TACR1TRIM24TRPV1CYP2D6
SCHEMBL6074434 0.90 TACR1 (0.46) TACR1TRIM24TRPV1CYP2D6
SCHEMBL6074619 0.89 TACR1 (0.45) TACR1TRIM24TRPV1CYP2D6
Hydrochloric Acid SCHEMBL6073538 0.88 TACR1 (0.44) TACR1TRIM24TRPV1CYP2D6
Hydrochloric Acid SCHEMBL6073543 0.88 TACR1 (0.44) TACR1TRIM24TRPV1CYP2D6
Hydrochloric Acid SCHEMBL7114291 0.88 TACR1 (0.44) TACR1TRIM24TRPV1CYP2D6
SCHEMBL6073577 0.87 TACR1 (0.51) TACR1TRIM24TRPV1CYP2D6
SCHEMBL6073746 0.87 TACR1 (0.45) 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