SCHEMBL1040982

SCHEMBL1040982

Cc1nc2c(N3CCN(C)CC3)cccc2c(=O)n1-c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 8/20 0.50
GRM1 Q13255 5/20 0.48
GRM5 P41594 2/20 0.47
POLB P06746 1/20 0.46
KCNH2 Q12809 3/20 0.46
HRH3 Q9Y5N1 3/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL9230253 0.78 RAB9A (0.51) TRPV4GRM1GRM5ALDH1A1CYP1A2
SCHEMBL4391482 0.71 MAPK1 (0.70) GRM1GRM5POLBKDM4EMEN1
SCHEMBL30089875 0.70 KCNH2 (0.57) GRM1POLBKCNH2HRH3ALDH1A1
SCHEMBL29110398 0.70 KCNH2 (0.57) GRM1POLBKCNH2HRH3ALDH1A1
SCHEMBL28924659 0.69 KCNH2 (0.56) GRM1GRM5POLBKCNH2HRH3
SCHEMBL30149445 0.69 KCNH2 (0.56) GRM1GRM5POLBKCNH2HRH3
SCHEMBL29110429 0.67 HRH3 (0.57) GRM1POLBKCNH2HRH3ALDH1A1
SCHEMBL7179390 0.67 EGFR (0.58) GRM1GRM5POLBHPGDTSHR
SCHEMBL28924682 0.66 HRH3 (0.56) GRM1GRM5POLBKCNH2HRH3
Hydrochloric Acid SCHEMBL11398762 0.66 MAT2A (0.54) POLBKCNH2KDM4EMEN1ALDH1A1

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-0903344-B1 Quinazolin-4-one derivatives, their preparation and their use as hair growth promoters or in external compositions for skin SHISEIDO CO LTD (JP) 2011-01-26 EP disclosed