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SCHEMBL15628396

SCHEMBL15628396

COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCCc3ccccc3)nc1)CC2

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 20/20 0.69
▸ HTR2A P28223 18/20 0.69
▸ HTR2B P41595 17/20 0.69
▸ CYP1A2 P05177 6/20 0.69
▸ CYP2C9 P11712 1/20 0.58
▸ HTR6 P50406 1/20 0.58

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
SCHEMBL7082972 0.85 HTR2C (0.72) HTR2CHTR2AHTR2BCYP1A2
SCHEMBL7082946 0.81 HTR2C (1.00) HTR2CHTR2AHTR2BCYP1A2CYP2C9
SCHEMBL7078894 0.81 HTR2C (1.00) HTR2CHTR2AHTR2BCYP1A2CYP2C9
SCHEMBL8116621 0.81 HTR2C (1.00) HTR2CHTR2AHTR2BCYP2C9HTR6
SCHEMBL7379147 0.81 HTR2C (0.66) HTR2CHTR2AHTR2BCYP1A2
SCHEMBL7084100 0.79 HTR2C (0.78) HTR2CHTR2AHTR2BCYP1A2CYP2C9
SCHEMBL15621810 0.79 HTR2C (0.59) HTR2CHTR2AHTR2BCYP1A2CYP2C9
SCHEMBL15621809 0.79 HTR2C (0.59) HTR2CHTR2AHTR2BCYP1A2CYP2C9
SCHEMBL8476206 0.78 SLC2A1 (0.68) HTR2CHTR2AHTR2BCYP1A2
SCHEMBL7039444 0.78 HTR2C (1.00) HTR2CHTR2AHTR2BCYP1A2CYP2C9

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
WO-2014046544-A1 SUBSTITUTED 3-HETEROARYLOXY-3-(HETERO)ARYL-PROPYLAMINES AS SEROTONIN TRANSPORTER AND SEROTONIN HT2C RECEPTOR MODULATORS AAPA B.V. (NL) 2014-03-27 — — WO disclosed