SCHEMBL9384128

SCHEMBL9384128

CCC(O)C1(c2ccccc2)CCN(C)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.48
OPRD1 P41143 5/20 0.48
OPRK1 P41145 4/20 0.48
SLC22A1 O15245 1/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1A P35348 1/20 0.48
KCNH2 Q12809 1/20 0.48
DRD4 P21917 1/20 0.45
OPRL1 P41146 4/20 0.42
GAA P10253 1/20 0.41
P2RX7 Q99572 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL28495176 0.86 LMNA (0.42) OPRM1OPRD1OPRK1SLC6A4OPRL1
SCHEMBL24691526 0.82 OPRM1 (0.46) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL9378568 0.81 OPRM1 (0.49) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL8234087 0.81 SLC6A4 (0.46) OPRM1OPRD1OPRK1SLC6A4OPRL1
SCHEMBL22479057 0.78 OPRM1 (0.52) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL3377292 0.75 LMNA (0.38) OPRM1OPRD1OPRK1OPRL1LMNA
SCHEMBL27699646 0.74 OPRM1 (0.48) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL17888241 0.73 OPRM1 (0.46) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL13849911 0.73 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1LMNA
SCHEMBL14402615 0.73 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0337167-B1 4-Aryl-4-piperidine (or pyrrolidine or hexahydroazepine) carbinols and heterocyclic analogs thereof DU PONT MERCK PHARMA (US) 1994-08-03 EP disclosed
US-5086063-A Analgesics, antidepressants, anorexigenic agents DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-02-04 US disclosed
US-5019650-A 4-aryl-4-piperidine (or pyrrolidine or hexahydroazepine) carbinols and heterocyclic analogs thereof E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-05-28 US disclosed
EP-0337167-A1 4-Aryl-4-piperidine (or pyrrolidine or hexahydroazepine) carbinols and heterocyclic analogs thereof THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1989-10-18 EP disclosed