SCHEMBL9632061

SCHEMBL9632061

CCOC(=O)C(CCCN1CCC(=C(c2ccccc2)c2ccc(F)cc2)CC1)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 6/20 0.50
OPRM1 P35372 6/20 0.50
OPRK1 P41145 4/20 0.50
MAPT P10636 3/20 0.46
DGKA P23743 3/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
ALOX15 P16050 2/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP2C19 P33261 1/20 0.46
DRD2 P14416 2/20 0.45
DRD4 P21917 2/20 0.45
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45

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 0.90 OPRM1 (0.44) OPRD1OPRM1OPRK1MAPTDGKA
SCHEMBL9631391 0.86 OPRD1 (0.48) OPRD1OPRM1OPRK1MEN1HTR7
SCHEMBL16481505 0.83 OPRD1 (0.54) OPRD1OPRM1OPRK1MAPTDGKA
SCHEMBL10963542 0.79 HTR2A (0.54) ALDH1A1CYP2D6KDM4EHTR2AHTR2C
SCHEMBL10932484 0.78 MAPT (0.49) MAPTALDH1A1LMNADRD2DRD4
SCHEMBL9816191 0.77 DRD2 (0.46) OPRD1OPRM1OPRK1MAPTDGKA
SCHEMBL9632071 0.77 PTPN1 (0.41) ALDH1A1TDP1KDM4EDRD2DRD4
SCHEMBL11541244 0.75 DRD2 (0.65) OPRM1LMNACYP2D6CYP2C9TSHR
SCHEMBL9073468 0.75 SIGMAR1 (0.55) LMNACYP2C9KDM4EDRD2HTR1A
SCHEMBL13904313 0.75 DRD2 (0.65) OPRM1LMNACYP2D6CYP2C9TSHR

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