SCHEMBL7674063

SCHEMBL7674063

CCN(CC)C(=O)c1cnc(C2(c3cccc(OC)c3)CCN(c3nccc(C(F)(F)F)n3)CC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.47
OPRK1 P41145 3/20 0.47
OPRM1 P35372 1/20 0.47
HPGD P15428 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PKM P14618 1/20 0.38
SLC6A7 Q99884 1/20 0.38
DGAT2 Q96PD7 1/20 0.38
PARP1 P09874 1/20 0.37
SLC6A2 P23975 6/20 0.37
SLC6A3 Q01959 6/20 0.37
SLC6A4 P31645 4/20 0.37
ALDH1A1 P00352 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 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
SCHEMBL7666959 0.90 OPRD1 (0.59) OPRD1OPRK1OPRM1PKMSLC6A7
SCHEMBL7668213 0.89 OPRD1 (0.53) OPRD1OPRK1OPRM1HPGDKDM4E
SCHEMBL7673036 0.85 OPRD1 (0.51) OPRD1OPRK1OPRM1HPGDALDH1A1
SCHEMBL7667107 0.81 OPRD1 (0.51) OPRD1OPRK1OPRM1HPGDSMN1; SMN2
SCHEMBL7668023 0.81 OPRD1 (0.51) OPRD1OPRK1OPRM1ALDH1A1TSHR
SCHEMBL6171193 0.78 OPRD1 (0.52) OPRD1OPRK1OPRM1HPGDKDM4E
SCHEMBL7665821 0.77 OPRD1 (0.68) OPRD1OPRK1OPRM1KDM4E
SCHEMBL7665165 0.77 OPRD1 (0.56) OPRD1OPRK1OPRM1ALDH1A1TSHR
SCHEMBL7665822 0.77 OPRD1 (0.51) OPRD1OPRK1OPRM1HPGDHDAC6
SCHEMBL4878168 0.74 CA12 (0.45) OPRD1HPGDKDM4EMAPTSMN1; SMN2

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
US-6444679-B1 NEUROLOGICAL AND GASTROINTESTINAL DISORDERS; DELTA OPIOID LIGANDS OR OPIOID RECEPTORS PFIZER INC 2002-09-03 US disclosed