SCHEMBL28548988

SCHEMBL28548988

OC1(O)CCN(Cc2ccccc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.71
POLB P06746 1/20 0.69
SIGMAR1 Q99720 6/20 0.65
CYP3A4 P08684 2/20 0.65
HSD17B10 Q99714 1/20 0.65
CCR3 P51677 1/20 0.63
ALDH1A1 P00352 2/20 0.59
CYP2C9 P11712 2/20 0.59
TSHR P16473 2/20 0.59
CYP2C19 P33261 2/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
HIF1A Q16665 1/20 0.59
CYP2D6 P10635 2/20 0.57
OPRM1 P35372 1/20 0.56
CHRM2 P08172 1/20 0.55
CHRM3 P20309 1/20 0.55
MC4R P32245 1/20 0.55
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54

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
SCHEMBL8199005 0.89 OPRL1 (0.62) OPRL1POLBSIGMAR1CYP3A4HSD17B10
SCHEMBL8804780 0.85 OPRL1 (0.67) OPRL1POLBSIGMAR1CYP3A4HSD17B10
SCHEMBL653329 0.85 OPRL1 (0.67) OPRL1POLBSIGMAR1CYP3A4HSD17B10
SCHEMBL1411499 0.83 OPRL1 (1.00) OPRL1POLBSIGMAR1CYP3A4HSD17B10
SCHEMBL7406058 0.83 OPRL1 (0.65) OPRL1POLBSIGMAR1CYP3A4HSD17B10
SCHEMBL1366704 0.83 OPRL1 (0.65) OPRL1POLBSIGMAR1CYP3A4HSD17B10
SCHEMBL1990088 0.82 OPRL1 (0.63) OPRL1POLBSIGMAR1CYP3A4HSD17B10
Hydrochloric Acid SCHEMBL7401723 0.82 POLB (0.66) OPRL1POLBSIGMAR1CYP3A4HSD17B10
SCHEMBL8913063 0.82 OPRL1 (0.58) OPRL1POLBSIGMAR1CYP3A4HSD17B10
SCHEMBL1147211 0.82 OPRL1 (0.63) OPRL1POLBSIGMAR1CYP3A4HSD17B10

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-112543756-A Substituted oxazolidinones for the treatment of mammalian infections 卡迪拉保健有限公司 2021-03-23 CN disclosed