SCHEMBL27534985

SCHEMBL27534985

CN(C)C(=O)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.55
TDP1 Q9NUW8 2/20 0.54
HPGD P15428 2/20 0.49
GLA P06280 1/20 0.49
RECQL P46063 1/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
HTR2A P28223 2/20 0.48
HRH1 P35367 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL30530341 0.84 AOC3 (0.52) LMNAGAA
SCHEMBL23875683 0.84 LTB4R (0.52) HPGDPOLBGAACYP3A4CYP2C19
SCHEMBL15793307 0.82 GAA (0.41) TACR1TDP1HTR2AHRH1GAA
SCHEMBL362624 0.81 TDP1 (0.56) TACR1TDP1HPGDGLARECQL
SCHEMBL25783367 0.81 TAAR1 (0.48) TACR1GAACHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL5790103 0.81 GAA (0.44) TACR1TDP1GAACHRNB2CHRNB4
SCHEMBL8897325 0.81 GABBR2 (0.44) TACR1TDP1GAACHRNB2CHRNB4
SCHEMBL5687706 0.81 MEN1 (0.49) TACR1
SCHEMBL11385152 0.80 HPGD (0.71) TACR1TDP1HPGDGLARECQL
SCHEMBL25784840 0.80 KDM4E (0.42) TACR1TDP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108658803-B Synthesis method of N, N-dialkyl diphenyl propionamide 青岛科技大学 2020-11-24 CN disclosed
CN-108658803-A A kind of synthetic method of N, N- dialkyl group diphenylpropanamide 青岛科技大学 2018-10-16 CN disclosed
CN-1092287-A Discharge and its implementation with variable dose rate control medicine percutaneous UNIV RUTGERS (US) 1994-09-21 CN disclosed