SCHEMBL7968932

SCHEMBL7968932

CSc1ccccc1OCCC(O)N1CCC(O)(c2cnc3ccccc3c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.35
OPRD1 P41143 8/20 0.35
OPRK1 P41145 8/20 0.35
OPRL1 P41146 8/20 0.35
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
ABCB1 P08183 6/20 0.33
HTR1A P08908 3/20 0.33
DRD2 P14416 2/20 0.33
ADRA1A P35348 2/20 0.33
TLR8 Q9NR97 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
DRD3 P35462 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL7953961 0.89 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1ITGA4
SCHEMBL7966027 0.86 MAPT (0.37) OPRM1OPRD1OPRK1OPRL1ABCB1
SCHEMBL8132545 0.86 NOTUM (0.33) OPRM1OPRD1OPRK1OPRL1ITGA4
SCHEMBL7965195 0.85 MEN1 (0.38) OPRM1OPRD1OPRK1OPRL1ITGA4
SCHEMBL7969551 0.84 MEN1 (0.41) OPRM1OPRD1OPRK1OPRL1
SCHEMBL7953292 0.84 MAPT (0.41) OPRM1OPRD1OPRK1OPRL1NPC1
SCHEMBL7953343 0.84 ALDH1A1 (0.46) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL7968936 0.83 ABCB1 (0.52) OPRM1OPRD1OPRK1ABCB1HTR1A
SCHEMBL7966948 0.83 OPRM1 (0.39) OPRM1OPRD1OPRK1OPRL1RAB9A
SCHEMBL7965358 0.83 PRMT5 (0.36) OPRM1OPRD1OPRK1OPRL1ITGA4

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
US-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 US disclosed
WO-2000006166-A1 5-HT1F ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed
EP-0976747-A2 Use of 5HT-1F receptor antagonists for treating anxiety disorders ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed