SCHEMBL27290705

SCHEMBL27290705

CC(C)C1CCN(C2CCCCC2)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.44
OPRM1 P35372 5/20 0.40
OPRL1 P41146 5/20 0.40
OPRK1 P41145 3/20 0.39
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
SIGMAR1 Q99720 6/20 0.37
SLC18A3 Q16572 1/20 0.35
TSHR P16473 1/20 0.33
OPRD1 P41143 2/20 0.33

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
SCHEMBL16980439 0.98 DPP4 (0.41) DPP4OPRM1OPRL1OPRK1CHRM2
SCHEMBL20756988 0.94 OPRL1 (0.38) DPP4OPRM1OPRL1OPRK1CHRM2
SCHEMBL18664010 0.94 OPRL1 (0.38) DPP4OPRM1OPRL1OPRK1CHRM2
SCHEMBL25489339 0.90 SIGMAR1 (0.36) DPP4OPRM1OPRL1OPRK1CHRM2
SCHEMBL24494860 0.90 SIGMAR1 (0.36) DPP4OPRM1OPRL1OPRK1CHRM2
SCHEMBL20756242 0.89 OPRL1 (0.40) DPP4OPRM1OPRL1OPRK1OPRD1
SCHEMBL14519149 0.88 ALDH1A1 (0.36) DPP4OPRM1OPRL1OPRK1SIGMAR1
SCHEMBL14519158 0.88 MEN1 (0.38) DPP4OPRM1OPRL1OPRK1SIGMAR1
SCHEMBL22874788 0.87 OPRM1 (0.49) DPP4OPRM1OPRL1OPRK1CHRM2
SCHEMBL20756943 0.86 MEN1 (0.37) DPP4OPRM1OPRL1OPRK1SIGMAR1

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-2024129763-A1 MODULATORS OF TNF-α ACTIVITY FORWARD THERAPEUTICS, INC. (US) 2024-06-20 WO disclosed
WO-2023247595-A1 PYRAZOLOPYRAZINE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-12-28 WO disclosed