SCHEMBL16103294

SCHEMBL16103294

CC(C)(C)N1CCC(F)(CN(Cc2ccccc2)Cc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
GRIN1 Q05586 1/20 0.47
KCNH2 Q12809 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
RORC P51449 1/20 0.39
OPRL1 P41146 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TSHR P16473 2/20 0.34
CNR2 P34972 1/20 0.34
MAPK1 P28482 1/20 0.34
SLC6A9 P48067 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL17700462 0.81 ALDH1A1 (0.41) OPRM1RORCOPRL1KDM4EALDH1A1
SCHEMBL16827186 0.77 TACR1 (0.48) KDM4ETSHR
SCHEMBL17978299 0.77 DPP7 (0.41) OPRM1CHRM2RORCOPRL1KDM4E
SCHEMBL28496874 0.70 GRIN2B (0.46) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL12469662 0.69 OPRM1 (0.68) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL8261420 0.69 OPRM1 (0.56) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL28793512 0.68 OPRM1 (0.51) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL2629504 0.68 ALDH1A1 (0.62) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL1292476 0.67 GRIN2D (0.39) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL16039169 0.67 KDM4E (0.36) OPRM1RORCOPRL1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2976337-A1 5-AMINO-QUINOLINE-8-CARBOXAMIDE DERIVATIVES AS 5-HT4 RECEPTOR AGONISTS Suven Life Sciences Limited (IN) 2016-01-27 EP disclosed
WO-2014147636-A1 5-AMINO-QUINOLINE-8-CARBOXAMIDE DERIVATIVES AS 5-HT4 RECEPTOR AGONISTS SUVEN LIFE SCIENCES LIMITED (IN) 2014-09-25 WO disclosed