SCHEMBL15079442

SCHEMBL15079442

Cc1ccc(CN(C)c2ccc(C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.50
PYCR1 P32322 1/20 0.48
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
CNR2 P34972 3/20 0.44
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
IDO1 P14902 1/20 0.42
CNR1 P21554 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4402952 1.00 CYP2C19 (0.52) CYP2C19ALDH1A1TSHRPYCR1CRHBP
SCHEMBL12679046 0.94 ALDH1A1 (0.52) CYP2C19ALDH1A1TSHRPYCR1CRHBP
SCHEMBL12679026 0.94 HRH3 (0.52) CYP2C19ALDH1A1TSHRPYCR1CRHBP
SCHEMBL4053251 0.90 CSF1R (0.45) CYP2C19ALDH1A1TSHRPYCR1CRHBP
SCHEMBL8228982 0.89 CYP2C19 (0.68) CYP2C19ALDH1A1TSHRCRHBPCRHR2
SCHEMBL11001060 0.89 CRHBP (0.59) CYP2C19ALDH1A1TSHRPYCR1CRHBP
SCHEMBL12144254 0.88 HRH3 (0.47) CYP2C19ALDH1A1TSHRPYCR1CRHBP
SCHEMBL15087674 0.88 CNR2 (0.58) CYP2C19CNR2CNR1
SCHEMBL14948318 0.87 CYP2C19 (0.55) CYP2C19ALDH1A1TSHRCRHBPCRHR2
SCHEMBL12679019 0.87 CYP2C19 (0.55) CYP2C19TSHRCNR2CNR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105189132-B Thermosensitive recording medium exhibiting gold metallic tone and/or thermosensitive recording medium exhibiting two different tones 王子控股株式会社 2018-06-26 CN claimed
EP-3707132-B1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES UNIV PARIS SACLAY (FR) 2024-07-17 EP disclosed
WO-2023003468-A1 NOVEL INHIBITORS OF HISTONE DEACETYLASE (HDAC), AND METHODS, COMPOSITIONS AND USES RELATED THERETO. RIJKSUNIVERSITEIT GRONINGEN (NL) 2023-01-26 WO disclosed
US-20130163086-A1 SYSTEMS AND METHODS FOR IMPROVING THE PERFORMANCE OF A PHOTOREFRACTIVE DEVICE BY UTILIZING ELECTROLYTES NITTO DENKO CORPORATION (JP) 2013-06-27 US disclosed