SCHEMBL31058852

SCHEMBL31058852

CC(C)(C)OC(=O)N1c2ccccc2CC1CNCC1CCO1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.41
OPRM1 P35372 3/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
OPRK1 P41145 2/20 0.40
TSHR P16473 2/20 0.40
NAMPT P43490 2/20 0.40
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
PKM P14618 1/20 0.38
ALOX5AP P20292 1/20 0.38
HSD17B10 Q99714 1/20 0.37
NOTUM Q6P988 1/20 0.36

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
SCHEMBL9544807 0.81 NAMPT (0.42) KDM4EALDH1A1TSHRNAMPTKMT2A
SCHEMBL31159075 0.80 MTNR1A (0.51) OPRD1KDM4ENAMPTPKMNOTUM
SCHEMBL14559364 0.80 MTNR1A (0.51) OPRD1KDM4ENAMPTPKMNOTUM
SCHEMBL31058860 0.79 NAMPT (0.41) OPRD1KDM4EALDH1A1NAMPTKMT2A
SCHEMBL9543218 0.78 CYP1A2 (0.44) ALDH1A1NAMPTALOX5APNOTUM
SCHEMBL3061256 0.78 DRD2 (0.47) ALDH1A1NAMPTMEN1KMT2AALOX5AP
SCHEMBL29571640 0.78 DRD2 (0.47) ALDH1A1NAMPTMEN1KMT2AALOX5AP
SCHEMBL30681381 0.78 DRD2 (0.47) ALDH1A1NAMPTMEN1KMT2AALOX5AP
SCHEMBL1760601 0.78 DRD2 (0.47) ALDH1A1NAMPTMEN1KMT2AALOX5AP
SCHEMBL30390423 0.78 DRD2 (0.47) ALDH1A1NAMPTMEN1KMT2AALOX5AP

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-118525016-A Protein tyrosine phosphatase inhibitors and methods of use thereof 卡里科生命科学有限责任公司 2024-08-20 CN disclosed