SCHEMBL28087362

SCHEMBL28087362

CC1CN(Cc2ccccc2)CCC1(C)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.57
OPRK1 P41145 5/20 0.57
CYP2D6 P10635 3/20 0.50
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
OPRD1 P41143 1/20 0.47
TSHR P16473 1/20 0.47
CHRM2 P08172 1/20 0.46
CHRM3 P20309 1/20 0.46
OPRL1 P41146 1/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
ACHE P22303 1/20 0.45
POLB P06746 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
SCHEMBL15568534 0.86 CYP2D6 (0.50) OPRM1OPRK1CYP2D6ALDH1A1MEN1
SCHEMBL4176734 0.86 OPRM1 (0.50) OPRM1OPRK1CYP2D6ALDH1A1MEN1
SCHEMBL4183999 0.86 OPRM1 (0.50) OPRM1OPRK1CYP2D6ALDH1A1MEN1
SCHEMBL1716774 0.86 OPRM1 (0.50) OPRM1OPRK1CYP2D6ALDH1A1MEN1
SCHEMBL1281942 0.85 CYP3A4 (0.56) OPRM1OPRK1CYP2D6ALDH1A1MEN1
SCHEMBL14001236 0.82 OPRM1 (0.53) OPRM1OPRK1CYP2D6ALDH1A1MEN1
SCHEMBL29312728 0.81 OPRM1 (0.53) OPRM1OPRK1CYP2D6ALDH1A1MEN1
SCHEMBL14310852 0.79 OPRM1 (0.49) OPRM1OPRK1CYP2D6ALDH1A1MEN1
SCHEMBL14001234 0.78 OPRM1 (0.49) OPRM1OPRK1CYP2D6ALDH1A1MEN1
SCHEMBL11401193 0.77 OPRM1 (0.69) OPRM1OPRK1OPRD1

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
CN-103249732-B The bacterial topoisomerase II of suppression 2-ethyl carbamyl amino-1,3-benzothiazole-5-base 生物区欧洲有限公司 2016-08-10 CN disclosed