SCHEMBL8330304

SCHEMBL8330304

CCc1nn(-c2c(C)cc(C)cc2C)c(CC)c1CN1Cc2ccccc2C[C@@H]1CO

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 13/20 0.36
▸ OPRM1 P35372 3/20 0.33
▸ OPRD1 P41143 3/20 0.33
▸ OPRK1 P41145 3/20 0.33
▸ BAD Q92934 4/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ CRHR1 P34998 1/20 0.31

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
SCHEMBL8329405 1.00 BCL2 (0.36) BCL2OPRM1OPRD1OPRK1BAD
SCHEMBL8330472 0.93 BCL2 (0.35) BCL2OPRM1OPRD1OPRK1BAD
SCHEMBL8330466 0.93 BCL2 (0.35) BCL2OPRM1OPRD1OPRK1BAD
SCHEMBL8506675 0.89 OPRM1 (0.37) BCL2OPRM1OPRD1OPRK1BAD
SCHEMBL8328569 0.89 OPRM1 (0.31) BCL2OPRM1OPRD1OPRK1BAD
SCHEMBL8329122 0.88 OPRM1 (0.31) OPRM1OPRD1OPRK1
SCHEMBL27471590 0.85 BCL2 (0.38) BCL2OPRM1OPRD1OPRK1BAD
SCHEMBL8322746 0.83 OPRM1 (0.33) BCL2OPRM1OPRD1OPRK1BAD
SCHEMBL8322749 0.83 OPRM1 (0.33) BCL2OPRM1OPRD1OPRK1BAD
SCHEMBL8326165 0.82 OPRM1 (0.36) BCL2OPRM1OPRD1OPRK1BAD

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-5968944-A TREATING STRESS AND ANXIETY RELATED DISORDERS PFIZER INC. (US) 1999-10-19 — — US disclosed
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