SCHEMBL9326007

SCHEMBL9326007

CN1CCC(O)(c2cnc3ccccc3c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.54
CYP1A2 P05177 2/20 0.42
HRH4 Q9H3N8 2/20 0.42
OPRM1 P35372 4/20 0.41
FASN P49327 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
OPRD1 P41143 4/20 0.39
OPRK1 P41145 3/20 0.39
MRGPRX2 Q96LB1 3/20 0.39
CYP2D6 P10635 1/20 0.39
MGAM O43451 1/20 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
SCHEMBL8138956 0.82 FASN (0.46) FASNCNR1CNR2MGAM
SCHEMBL7203556 0.79 CHRNB2 (0.48) CYP1A2FASNCNR2MGAM
SCHEMBL7203937 0.78 CYP11B2 (0.46) FASNOPRD1OPRK1
SCHEMBL7962754 0.78 ALDH1A1 (0.56)
SCHEMBL7964658 0.76 MEN1 (0.48)
SCHEMBL7966346 0.76 CYP2D6 (0.49) CYP1A2CYP2D6
SCHEMBL7964899 0.75 ALDH1A1 (0.50) CYP2D6
SCHEMBL7965519 0.75 ALDH1A1 (0.51) CYP1A2CYP2D6
SCHEMBL7969555 0.75 OPRL1 (0.45) OPRM1OPRD1
Oxalic Acid SCHEMBL7966526 0.75 KDM4E (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5292761-A Piperidine, tetrahydropyridine and pyrrolidine compounds ADIR ET COMPAGNIE (FR) 1994-03-08 US disclosed
US-5278185-A Piperidine, Tetrahydropyridine and pyrrolidine compounds ADIR ET COMPAGNIE (FR) 1994-01-11 US disclosed
US-5260317-A Hypotensive agents ADIR ET COMPAGNIE (FR) 1993-11-09 US disclosed
US-5250544-A Hypotensive agents ADIR ET COMPAGNIE (FR) 1993-10-05 US disclosed
US-5242933-A Hypotensive agents ADIR ET COMPAGNIE (FR) 1993-09-07 US disclosed
EP-0466585-A1 Novel piperidin, tetrahydropyridine and pyrrolidine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-01-15 EP disclosed