SCHEMBL8330472

SCHEMBL8330472

CCc1nn(-c2c(C)cc(Br)cc2C)c(CC)c1CN1Cc2ccccc2CC1CO

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 14/20 0.35
▸ BAD Q92934 4/20 0.35
▸ OPRM1 P35372 3/20 0.32
▸ OPRD1 P41143 3/20 0.32
▸ OPRK1 P41145 3/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ TAS1R2 Q8TE23 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL8330466 1.00 BCL2 (0.35) BCL2BADOPRM1OPRD1OPRK1
SCHEMBL8330304 0.93 BCL2 (0.36) BCL2BADOPRM1OPRD1OPRK1
SCHEMBL8329405 0.93 BCL2 (0.36) BCL2BADOPRM1OPRD1OPRK1
SCHEMBL8326165 0.89 OPRM1 (0.36) BCL2BADOPRM1OPRD1OPRK1
SCHEMBL8330873 0.88 OPRM1 (0.31) OPRM1OPRD1OPRK1
SCHEMBL8328769 0.88 OPRM1 (0.31) OPRM1OPRD1OPRK1
SCHEMBL27471590 0.88 BCL2 (0.38) BCL2BADOPRM1OPRD1OPRK1
SCHEMBL8328396 0.87 BCL2 (0.35) BCL2BADOPRM1OPRD1OPRK1
SCHEMBL8322746 0.82 OPRM1 (0.33) BCL2BADOPRM1OPRD1OPRK1
SCHEMBL8328569 0.82 OPRM1 (0.31) BCL2BADOPRM1OPRD1OPRK1

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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