SCHEMBL21389218

SCHEMBL21389218

CC1CCC(=O)N1CCNC(=O)CSCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 2/20 0.40
▸ PTGER4 P35408 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ CHRM2 P08172 3/20 0.35
▸ CHRM4 P08173 3/20 0.35
▸ CHRM5 P08912 3/20 0.35
▸ CHRM1 P11229 3/20 0.35
▸ CHRM3 P20309 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ PER2 O15055 3/20 0.34
▸ P2RX7 Q99572 3/20 0.34
▸ MITF O75030 1/20 0.34
▸ KLF5 Q13887 1/20 0.34
▸ FABP3 P05413 1/20 0.34
▸ FABP4 P15090 1/20 0.34

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
SCHEMBL26745878 1.00 USP2 (0.40) USP2PTGER4ALDH1A1CHRM2CHRM4
SCHEMBL21389216 1.00 USP2 (0.40) USP2PTGER4ALDH1A1CHRM2CHRM4
SCHEMBL26746723 0.90 CHRM2 (0.35) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL26746727 0.90 CHRM2 (0.35) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL21389200 0.86 PTGER4 (0.36) USP2PTGER4ALDH1A1GAAP2RX7
SCHEMBL24795987 0.85 HPGD (0.43) USP2ALDH1A1GAA
SCHEMBL21389390 0.85 CYP1A2 (0.38) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL26745025 0.85 PTGER4 (0.39) USP2PTGER4GAAPER2P2RX7
SCHEMBL26744951 0.85 PTGER4 (0.39) USP2PTGER4GAAPER2P2RX7
SCHEMBL21384151 0.84 PTGER4 (0.35) USP2PTGER4ALDH1A1GAAP2RX7

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
WO-2019183577-A1 MODULATORS OF G-PROTEIN COUPLED RECEPTORS CARMOT THERAPEUTICS, INC. (US) 2019-09-26 — — WO disclosed
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