SCHEMBL3127047

SCHEMBL3127047

OC1(c2ccc(C(F)(F)F)cc2)CC[N]CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.49
OPRM1 P35372 4/20 0.46
OPRD1 P41143 2/20 0.46
OPRK1 P41145 2/20 0.46
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
KDM1A O60341 1/20 0.42
DRD2 P14416 1/20 0.41
SLC6A3 Q01959 3/20 0.41
CCR1 P32246 2/20 0.40
SLC6A4 P31645 2/20 0.38
SLC6A2 P23975 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
S1PR2 O95136 1/20 0.36
P2RY14 Q15391 1/20 0.36

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
SCHEMBL18282707 0.86 OPRL1 (0.55) OPRL1OPRM1OPRD1OPRK1MAOA
SCHEMBL29588372 0.82 SLC6A3 (0.53) OPRL1OPRM1OPRD1OPRK1MAOA
SCHEMBL24394078 0.82 OPRL1 (0.53) OPRL1OPRM1OPRD1OPRK1MAOA
SCHEMBL20455678 0.81 SLC6A3 (0.56) OPRL1OPRM1OPRD1OPRK1MAOA
SCHEMBL1414020 0.80 OPRL1 (0.56) OPRL1OPRM1OPRD1OPRK1KDM1A
SCHEMBL3640272 0.79 OPRM1 (0.46) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL24397813 0.78 OPRL1 (0.49) OPRL1OPRM1OPRD1OPRK1MAOA
SCHEMBL24398040 0.78 P2RY14 (0.49) OPRL1OPRM1OPRD1OPRK1MAOA
SCHEMBL653874 0.78 DRD2 (0.59) OPRL1OPRM1OPRD1OPRK1MAOA
Hydrochloric Acid SCHEMBL23578391 0.76 DRD2 (0.58) OPRL1OPRM1OPRD1OPRK1MAOA

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
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed
EP-0666854-A1 NEUROPROTECTIVE 3,4-DIHYDRO-2(1H)-QUINOLONE COMPOUNDS. PFIZER (US) 1995-08-16 EP disclosed
WO-1994010166-A1 NEUROPROTECTIVE 3,4-DIHYDRO-2(1H)-QUINOLONE COMPOUNDS PFIZER INC. (US) 1994-05-11 WO disclosed