SCHEMBL21886397

SCHEMBL21886397

CCc1ccccc1N(c1ccc(C)cc1)c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.41
TSHR P16473 3/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
MAPK1 P28482 1/20 0.39
C5AR1 P21730 2/20 0.39
PTGER1 P34995 5/20 0.39
ALDH1A1 P00352 1/20 0.38
MGLL Q99685 1/20 0.37
POLB P06746 1/20 0.36
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL21578571 0.94 TSHR (0.43) CYP2C19TSHRLMNAHPGDHTT
SCHEMBL4400830 0.90 CTDSP1 (0.42) TSHRLMNAHPGDHTTNPSR1
SCHEMBL12680420 0.87 CTDSP1 (0.47) CYP2C19LMNAHPGDKDM4EALDH1A1
SCHEMBL12680419 0.87 C5AR1 (0.38) CYP2C19TSHRLMNAHPGDHTT
SCHEMBL7895277 0.85 ALDH1A1 (0.42) CYP2C19TSHRHTTL3MBTL1KDM4E
SCHEMBL30306601 0.85 ALDH1A1 (0.42) CYP2C19TSHRHTTL3MBTL1KDM4E
SCHEMBL22639370 0.85 CYP2C19 (0.39) CYP2C19TSHRALDH1A1MEN1KMT2A
SCHEMBL27631640 0.85 CYP2C19 (0.39) CYP2C19TSHRLMNAHPGDHTT
SCHEMBL4402188 0.84 FGF23 (0.47) LMNAHPGDHTTNPSR1L3MBTL1
SCHEMBL12763685 0.84 CTDSP1 (0.39) LMNAHPGDHTTNPSR1KDM4E

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-20200117106-A1 COMPOUND MIXTURE, ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER AND PRODUCTION METHOD FOR COMPOUND MIXTURE KYOCERA DOCUMENT SOLUTIONS INC. (JP) 2020-04-16 US disclosed