SCHEMBL28049009

SCHEMBL28049009

O=C(O)N1CCC(O)(CN(Cc2ccccc2)Cc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 3/20 0.43
KMT2A Q03164 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
OPRM1 P35372 3/20 0.40
CYP46A1 Q9Y6A2 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
CYP2D6 P10635 1/20 0.40
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
OPRL1 P41146 2/20 0.38
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
NCOR2 Q9Y618 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C8 P10632 1/20 0.38

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
SCHEMBL12493112 0.87 OPRM1 (0.39) AVPR1AKMT2ADPP7OPRM1SIGMAR1
SCHEMBL27655696 0.86 NAMPT (0.43) AVPR1AOPRM1CYP46A1SIGMAR1CYP2D6
SCHEMBL17978299 0.85 DPP7 (0.41) DPP7OPRM1SIGMAR1CYP2D6OPRD1
SCHEMBL27933676 0.83 CYP46A1 (0.43) KMT2AOPRM1CYP46A1SIGMAR1CYP2D6
SCHEMBL17700363 0.82 ALDH1A1 (0.45) OPRM1OPRD1OPRK1OPRL1HDAC3
SCHEMBL16101520 0.82 OPRD1 (0.48) OPRD1OPRK1
SCHEMBL3833018 0.80 AVPR1A (0.62) AVPR1AOPRM1CYP46A1OPRD1OPRK1
SCHEMBL12492896 0.79 AVPR1A (0.37) AVPR1AOPRM1CYP46A1SIGMAR1CYP2D6
SCHEMBL25663631 0.79 OPRL1 (0.38) OPRM1OPRD1OPRK1OPRL1HDAC3
SCHEMBL25663654 0.78 SLC6A2 (0.39) DPP7OPRM1OPRD1OPRK1OPRL1

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
CN-105164119-B 5-amino-quinoline-8-carboxamide derivatives as 5-HT4 receptor agonists 苏文生命科学有限公司 2017-12-08 CN disclosed
CN-105164119-A 5-amino-quinoline-8-carboxamide derivatives as 5-ht4 receptor agonists SUVEN LIFE SCIENCES LTD 2015-12-16 CN disclosed