SCHEMBL9631391

SCHEMBL9631391

CCOC(=O)C(CCN1CCC(=C(c2ccccc2)c2ccc(C)cc2)CC1)C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 6/20 0.48
OPRK1 P41145 5/20 0.48
OPRM1 P35372 4/20 0.48
SETD7 Q8WTS6 1/20 0.42
HTR7 P34969 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNA3 P22001 1/20 0.39
KCNA5 P22460 2/20 0.39

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
SCHEMBL9630285 0.87 OPRM1 (0.44) OPRD1OPRK1OPRM1HTR7MEN1
SCHEMBL9632061 0.86 OPRD1 (0.50) OPRD1OPRK1OPRM1HTR7MEN1
SCHEMBL4563119 0.76 OPRD1 (0.54) OPRD1OPRK1OPRM1SETD7HTR7
SCHEMBL9631397 0.75 PTPN1 (0.38) HTR7MEN1KMT2AKCNA3
SCHEMBL14282904 0.73 OPRD1 (0.50) OPRD1OPRK1OPRM1SETD7HTR7
SCHEMBL11037050 0.72 OPRD1 (0.53) OPRD1OPRK1OPRM1SETD7HTR7
SCHEMBL8314872 0.72 OPRD1 (0.55) OPRD1OPRK1OPRM1SETD7HTR7
SCHEMBL4693977 0.71 TSHR (0.57) OPRD1OPRK1SETD7KMT2A
SCHEMBL14198374 0.71 SETD7 (0.58) OPRD1OPRK1OPRM1SETD7HTR7
SCHEMBL16481505 0.71 OPRD1 (0.54) OPRD1OPRK1OPRM1HTR7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5079249-A Serotine antagonists at 5-HT2 level, antiallergens, antihistamines ADIR ET COMPAGNIE (FR) 1992-01-07 US disclosed
US-5071847-A BIS (ARYL) ALKENE COMPOUNDS OF HOMOPIPERIDINES USEFUL AS SEROTONIN-ANTAGONISTS ADIR ET COMPAGNIE (FR) 1991-12-10 US disclosed
US-5028607-A Antiserotonine agents ADIR ET COMPAGNIE (FR) 1991-07-02 US disclosed