SCHEMBL6074431

SCHEMBL6074431

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 17/20 0.46
CYP2D6 P10635 5/20 0.42
TRIM24 O15164 1/20 0.40
KCNH2 Q12809 1/20 0.39
MTNR1B P49286 1/20 0.39
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL6074434 1.00 TACR1 (0.46) TACR1CYP2D6TRIM24KCNH2MTNR1B
SCHEMBL6074289 0.90 TACR1 (0.47) TACR1CYP2D6TRIM24TRPV1
SCHEMBL6074786 0.90 TACR1 (0.47) TACR1CYP2D6TRIM24TRPV1
SCHEMBL6074300 0.90 TACR1 (0.47) TACR1CYP2D6TRIM24TRPV1
SCHEMBL6074619 0.87 TACR1 (0.45) TACR1CYP2D6TRIM24TRPV1
Hydrochloric Acid SCHEMBL7114291 0.86 TACR1 (0.44) TACR1CYP2D6TRIM24TRPV1
Hydrochloric Acid SCHEMBL6073538 0.86 TACR1 (0.44) TACR1CYP2D6TRIM24TRPV1
Hydrochloric Acid SCHEMBL6073543 0.86 TACR1 (0.44) TACR1CYP2D6TRIM24TRPV1
SCHEMBL6606866 0.85 TACR1 (0.45) TACR1CYP2D6TRIM24TRPV1
SCHEMBL8664244 0.85 TACR1 (0.45) TACR1CYP2D6TRIM24TRPV1

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