SCHEMBL14149352

SCHEMBL14149352

Cc1cc(OC(F)(F)F)ccc1-c1cc(C)c2c(c1)[C@@H]1CNCCN1C2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.40
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
CYP1A2 P05177 3/20 0.35
MCHR1 Q99705 1/20 0.34
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
SCN4A P35499 1/20 0.33
SCN9A Q15858 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL3553395 0.91 SCN5A (0.40) SCN5AHTR2AHTR2CHTR2BCYP1A2
SCHEMBL3556086 0.83 HTR2C (0.45) SCN5AHTR2AHTR2CHTR2B
SCHEMBL3553613 0.75 HTR2C (0.35) HTR2AHTR2CHTR2B
SCHEMBL13118805 0.74 HTR2C (0.62) HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL3554417 0.73 HTR2C (0.61) HTR2AHTR2CHTR2B
SCHEMBL13118808 0.66 HTR2C (0.70) HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL3554505 0.66 HTR2C (0.69) HTR2AHTR2CHTR2B
SCHEMBL3553621 0.65 HTR2C (0.39) HTR2AHTR2CHTR2B
SCHEMBL3559944 0.65 HTR2A (0.58) HTR2AHTR2CHTR2B
SCHEMBL14110499 0.65 HTR2C (0.45) HTR2AHTR2CHTR2B

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
EP-1675859-B1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL MYERS SQUIBB CO (US) 2012-12-05 EP disclosed