SCHEMBL31545684

SCHEMBL31545684

C=C(C)C(CC)C1CC(C)Oc2cc(CCCCC)cc(O)c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 6/20 0.44
▸ CNR2 P34972 8/20 0.42
▸ CNR1 P21554 6/20 0.42
▸ TRPV1 Q8NER1 2/20 0.42
▸ MLNR O43193 1/20 0.42
▸ NR1I2 O75469 1/20 0.42
▸ PDE9A O76083 1/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ LDHA P00338 1/20 0.42
▸ CYP1A1 P04798 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2A6 P11509 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ ADRA2B P18089 1/20 0.42

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
SCHEMBL31544899 0.75 CNR2 (0.44) OPRM1CNR2CNR1NR1I2LDHA
SCHEMBL23765197 0.73 CNR2 (0.44) OPRM1CNR2CNR1NR1I2LDHA
SCHEMBL17345391 0.71 OPRM1 (0.54) OPRM1CNR2CNR1TRPV1MLNR
SCHEMBL24703685 0.71 OPRM1 (0.54) OPRM1CNR2CNR1TRPV1MLNR
SCHEMBL13214089 0.71 OPRM1 (0.54) OPRM1CNR2CNR1TRPV1MLNR
SCHEMBL21943197 0.70 OPRM1 (0.61) OPRM1CNR2CNR1TRPV1MLNR
SCHEMBL23791368 0.70 OPRM1 (0.61) OPRM1CNR2CNR1TRPV1MLNR
SCHEMBL23765233 0.70 CNR1 (0.46) OPRM1CNR2CNR1TRPV1NR1I2
SCHEMBL22058679 0.70 CNR1 (0.46) OPRM1CNR2CNR1TRPV1NR1I2
SCHEMBL22942198 0.67 TRPV1 (0.50) OPRM1CNR2CNR1TRPV1NR1I2

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
US-20250090554-A1 A METHOD OF TREATING DEPRESSION BY IMMUNE MODULATION MYND LIFE SCIENCES INC (CA) 2025-03-20 — — US disclosed
Send feedback