SCHEMBL11264369

SCHEMBL11264369

CC1SCCCNc2c1cc(Cl)cc2C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CRHBP P24387 1/20 0.30
CASP1 P29466 1/20 0.30
CYP2C19 P33261 1/20 0.30
CASP7 P55210 1/20 0.30
KMT2A Q03164 1/20 0.30
CRHR2 Q13324 1/20 0.30

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
SCHEMBL11261787 0.82 HTR2A (0.37) HTR2AHTR2CMEN1KMT2A
SCHEMBL11272693 0.82 HTR2A (0.31) HTR2AHTR2CMEN1KMT2A
SCHEMBL11280825 0.77 HTR2C (0.38) HTR2C
SCHEMBL11270655 0.74 HTR2A (0.32) HTR2AHTR2CMEN1KMT2A
SCHEMBL11262097 0.72 HTR2C (0.39) HTR2AHTR2CMEN1CYP1A2CASP1
SCHEMBL11278308 0.71 ERN1 (0.32)
Hydrochloric Acid SCHEMBL11269902 0.71 HTR2C (0.38) HTR2AHTR2CMEN1CYP1A2CASP1
SCHEMBL11275878 0.71
SCHEMBL11261985 0.69 SMN1; SMN2 (0.40) PKMMEN1CYP2C19KMT2A
SCHEMBL11273824 0.69 HTR2A (0.43) HTR2AHTR2CMEN1KMT2A

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-4328238-A ANTIDEPRESSANTS, ANTISECRETORY, AND ANTIULCER AGENTS SANKYO COMPANY LIMITED (JP) 1982-05-04 US disclosed