SCHEMBL9670936

SCHEMBL9670936

O=C(Cc1ccc(C(F)(F)F)cc1)N1CCCC2CC(N3CCCC3)CCC21

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.54
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
TACR1 P25103 2/20 0.43
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
DPP4 P27487 1/20 0.41
TEAD1 P28347 1/20 0.40

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
SCHEMBL9672127 0.86 NPC1 (0.47) SMN1; SMN2
SCHEMBL9670929 0.81 OPRD1 (0.57) OPRD1
SCHEMBL9670754 0.81 OPRD1 (0.57) OPRD1
SCHEMBL9669607 0.81 OPRM1 (0.59)
SCHEMBL10645148 0.71 OPRD1 (0.61) OPRD1KCNH2HRH3KMT2ASMN1; SMN2
SCHEMBL9672608 0.71 OPRM1 (0.58)
SCHEMBL7641140 0.71 OPRD1 (1.00) OPRD1KCNH2HRH3
SCHEMBL6627224 0.71 OPRD1 (1.00) OPRD1KCNH2HRH3
Hydrochloric Acid SCHEMBL8438708 0.70 OPRD1 (0.98) OPRD1KCNH2HRH3
Hydrochloric Acid SCHEMBL3175234 0.70 OPRD1 (0.98) OPRD1KCNH2HRH3

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
EP-0233793-B1 DECAHYDROQUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1992-04-01 EP claimed