SCHEMBL8985647

SCHEMBL8985647

Clc1cccc(COc2ccccc2CNCC2CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
RECQL P46063 1/20 0.51
ENPP2 Q13822 1/20 0.51
CARM1 Q86X55 2/20 0.49
PRMT1 Q99873 2/20 0.49
GAA P10253 1/20 0.47
GRM2 Q14416 1/20 0.47
HTR1A P08908 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
LMNA P02545 1/20 0.46
CXCR4 P61073 1/20 0.46
SLC1A5 Q15758 1/20 0.46

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
SCHEMBL9117138 0.80 BCHE (0.52) MEN1KMT2ACYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL27582483 0.79 CARM1 (0.58) MEN1KMT2ATP53CYP3A4CYP2C9
SCHEMBL20324949 0.79 GAA (0.54) MEN1KMT2ATP53CYP3A4CYP2D6
SCHEMBL5646043 0.77 ENPP2 (0.62) KMT2ACYP3A4CYP2C9CYP2C19ENPP2
SCHEMBL3423780 0.76 CYP1A2 (0.55) MEN1KMT2ACYP3A4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL30933651 0.76 HTR2C (0.53) MEN1KMT2ALMNAHTT
SCHEMBL20324336 0.76 GAA (0.56) MEN1KMT2ATP53GAALMNA
SCHEMBL27702461 0.74 CARM1 (0.64) KMT2ACYP3A4CYP2C9CYP2C19ENPP2
SCHEMBL6509968 0.74 HTR2C (0.57) SLC1A5
SCHEMBL20324364 0.73 MEN1 (0.58) MEN1KMT2ATP53CYP3A4CYP2D6

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-5550292-A ANXIOLYTIC AND ANTIDEPRESSANT AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-08-27 US disclosed