SCHEMBL26428644

SCHEMBL26428644

CCOCC1CCN(C2(C)CN(C(c3ccccc3)c3ccccc3)C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 8/20 0.41
▸ OPRK1 P41145 7/20 0.41
▸ OPRL1 P41146 7/20 0.41
▸ OPRD1 P41143 6/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ CYP3A4 P08684 6/20 0.37
▸ CYP2D6 P10635 6/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ CYP2C9 P11712 3/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM5 P08912 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 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
SCHEMBL26094254 0.78 KDM4E (0.57) NPSR1
SCHEMBL1189319 0.75 NPSR1 (0.51) OPRM1OPRK1OPRL1OPRD1NPSR1
SCHEMBL13597028 0.74 OPRM1 (0.51) OPRM1OPRK1OPRL1OPRD1CYP2D6
SCHEMBL29304439 0.73 L3MBTL3 (0.51) OPRM1OPRK1OPRL1OPRD1CYP2D6
SCHEMBL26094127 0.72 MEN1 (0.62) OPRM1OPRD1NPSR1GPR55CYP3A4
SCHEMBL1189507 0.72 ALDH1A1 (0.49) OPRM1OPRK1OPRL1OPRD1NPSR1
SCHEMBL16449042 0.70 L3MBTL3 (0.51) OPRM1OPRK1OPRL1OPRD1CYP3A4
SCHEMBL28263429 0.68 HRH3 (0.48) DPP4HTR2AHTR2CHTR2BL3MBTL3
SCHEMBL17049270 0.68 OPRM1 (0.56) OPRM1OPRK1OPRL1OPRD1NPSR1
SCHEMBL13597004 0.68 L3MBTL1 (0.56) OPRM1OPRK1OPRL1OPRD1CYP2D6

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-2023067353-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2023-04-27 — — WO disclosed
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