SCHEMBL31270584

SCHEMBL31270584

O=C1CCOC2(CCN(Cc3ccccc3)CC2)C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.54
OPRM1 P35372 1/20 0.53
DRD2 P14416 2/20 0.52
OPRL1 P41146 1/20 0.49
MGLL Q99685 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CHRM2 P08172 1/20 0.47
CHRM3 P20309 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL31271122 0.78 SIGMAR1 (0.48) SIGMAR1OPRM1DRD2OPRL1MGLL
SCHEMBL1966477 0.77 SIGMAR1 (0.61) SIGMAR1OPRM1DRD2OPRL1POLB
SCHEMBL6825469 0.75 SIGMAR1 (0.68) SIGMAR1OPRM1DRD2CYP3A4HSD17B10
SCHEMBL31271017 0.75 CYP2D6 (0.46) SIGMAR1OPRM1OPRL1MGLLCHRM2
SCHEMBL7952645 0.74 SIGMAR1 (0.59) SIGMAR1OPRM1DRD2OPRL1CYP3A4
SCHEMBL1975664 0.73 SLC6A2 (0.60) SIGMAR1OPRM1OPRL1CYP3A4HSD17B10
SCHEMBL14027000 0.73 ALDH1A1 (0.64) SIGMAR1DRD2OPRL1POLBCYP3A4
SCHEMBL17611770 0.73 CHRM2 (0.69) SIGMAR1OPRM1MGLLCHRM2CHRM3
SCHEMBL11686136 0.72 SIGMAR1 (0.68) SIGMAR1OPRM1OPRL1POLBCYP3A4
SCHEMBL6777379 0.72 SIGMAR1 (0.60) SIGMAR1DRD2OPRL1POLBCYP3A4

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
EP-4719384-A2 COMPOUNDS WITH ANTIFUNGAL PROPERTIES Trustees of Dartmouth College (US) 2026-04-08 EP disclosed
WO-2024249290-A2 COMPOUNDS WITH ANTIFUNGAL PROPERTIES TRUSTEES OF DARTMOUTH COLLEGE (US) 2024-12-05 WO disclosed