SCHEMBL31421785

SCHEMBL31421785

COC(=O)C1(Oc2ccccc2C2CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
HTR2C P28335 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.40
SSTR4 P31391 4/20 0.39
SSTR1 P30872 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CHRM4 P08173 3/20 0.38
CHRM1 P11229 3/20 0.38
CHRM2 P08172 1/20 0.38
PKM P14618 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
SCHEMBL26124155 1.00 MEN1 (0.43) MEN1KMT2AHTR2CPTGDR2SSTR4
SCHEMBL31421794 0.83 PTGDR2 (0.47) MEN1KMT2AHTR2CPTGDR2SSTR4
SCHEMBL26119626 0.83 PTGDR2 (0.47) MEN1KMT2AHTR2CPTGDR2SSTR4
SCHEMBL26123722 0.78 KMT2A (0.38) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL15397098 0.78 ADAM17 (0.40) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL26126678 0.77 HPGD (0.40) MEN1KMT2ASSTR4ALDH1A1GAA
SCHEMBL22116318 0.76 PTGDR2 (0.46) PTGDR2KDM4EALDH1A1GAAHPGD
SCHEMBL20182572 0.75 ALDH1A1 (0.43) MEN1KMT2APTGDR2KDM4EALDH1A1
SCHEMBL18322694 0.73 CYP2D6 (0.40) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL4114043 0.73 HDAC4 (0.42) MEN1KMT2AALDH1A1HPGD

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
WO-2025074305-A1 N-(1-(AMINOMETHYL)CYCLOPROPYL)(ARYL OR HETEROARYL) CARBOXAMIDE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-04-10 WO disclosed
CN-119585238-A N- (pyrrolidin-3-yl or piperidin-4-yl) acetamide derivatives 武田药品工业株式会社 2025-03-07 CN disclosed