SCHEMBL25689136

SCHEMBL25689136

Cc1cc2ccn(CC(C)C)c2cc1F

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 15/20 0.65
HTR2A P28223 13/20 0.65
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
HTR2B P41595 1/20 0.51
POLB P06746 1/20 0.37
GRIN2B Q13224 1/20 0.37
P2RX7 Q99572 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
SCHEMBL24143180 0.94 HTR2C (0.65) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL24143058 0.86 HTR2C (0.54) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL13970610 0.81 HTR2C (0.80) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL24143095 0.79 HTR2C (0.63) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL26674202 0.79 HTR2C (0.63) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL15307684 0.79 HTR2C (0.78) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL23927873 0.79 HTR2C (0.55) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL29780337 0.79 HTR2C (0.55) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL23927872 0.79 HTR2C (0.55) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL21872466 0.79 HTR2C (0.54) HTR2CHTR2ACYP1A2CYP3A4CYP2C9

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-3632443-B1 ANTI-TUMOR EFFECT POTENTIATOR USING A BIPHENYL COMPOUND TAIHO PHARMACEUTICAL CO LTD (JP) 2023-06-07 EP disclosed