SCHEMBL8312303

SCHEMBL8312303

CN(C)c1ccc(C(=C2CCN(CCCCl)CC2)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 6/20 0.55
OPRK1 P41145 5/20 0.55
OPRM1 P35372 4/20 0.55
SETD7 Q8WTS6 1/20 0.49
P2RX7 Q99572 1/20 0.46
HTR7 P34969 1/20 0.42
RAB9A P51151 2/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CCR3 P51677 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
SCHEMBL8318385 0.95 OPRD1 (0.47) OPRD1OPRK1OPRM1SETD7P2RX7
SCHEMBL9253379 0.88 SETD7 (0.57) OPRD1OPRK1OPRM1SETD7P2RX7
SCHEMBL8314872 0.86 OPRD1 (0.55) OPRD1OPRK1OPRM1SETD7P2RX7
SCHEMBL11546026 0.84 OPRD1 (0.57) OPRD1OPRK1OPRM1HTR7HTR1A
SCHEMBL8316876 0.84 OPRD1 (0.53) OPRD1OPRK1OPRM1SETD7P2RX7
SCHEMBL8316991 0.83 OPRM1 (0.52) OPRD1OPRK1OPRM1SETD7P2RX7
SCHEMBL8316856 0.82 OPRM1 (0.52) OPRD1OPRK1OPRM1SETD7P2RX7
SCHEMBL11859424 0.82 OPRD1 (0.55) OPRD1OPRK1OPRM1SETD7P2RX7
Hydrochloric Acid SCHEMBL11862454 0.82 OPRD1 (0.49) OPRD1OPRK1OPRM1SETD7P2RX7
SCHEMBL11858351 0.81 OPRM1 (0.48) OPRD1OPRK1OPRM1SETD7P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0536419-B1 TRICYCLIC TRIAZOLE DERIVATIVES, PRODUCTION AND USE THEREOF TORAY INDUSTRIES (JP) 1999-10-13 EP disclosed
CN-1033327-C Process for preparing tricyclotriazolo derivatives and their use TORAY INDUSTRIES (JP) 1996-11-20 CN disclosed
CN-1066849-A Three ring triazolo derivatives, its Manufacturing approach and use TORAY INDUSTRIES (JP) 1992-12-09 CN disclosed