SCHEMBL7964906

SCHEMBL7964906

OC(CCN1CCC(O)(c2cnc3ccccc3c2)CC1)Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.46
OPRM1 P35372 4/20 0.46
OPRD1 P41143 1/20 0.46
HTR1A P08908 4/20 0.41
CCR1 P32246 2/20 0.40
TACR1 P25103 3/20 0.39
TACR2 P21452 2/20 0.38
DRD2 P14416 2/20 0.38
LTA4H P09960 2/20 0.38

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
SCHEMBL7953361 0.91 OPRL1 (0.39) OPRL1OPRM1OPRD1HTR1ACCR1
SCHEMBL7965755 0.91 TACR2 (0.40) OPRL1OPRM1OPRD1HTR1ACCR1
SCHEMBL7969555 0.90 OPRL1 (0.45) OPRL1OPRM1OPRD1HTR1ACCR1
SCHEMBL7953456 0.88 OPRL1 (0.39) OPRL1OPRM1OPRD1HTR1ACCR1
SCHEMBL7969312 0.88 LTA4H (0.45) OPRL1OPRM1OPRD1HTR1ACCR1
SCHEMBL7953348 0.88 MEN1 (0.47) OPRL1OPRM1OPRD1HTR1ACCR1
SCHEMBL7966953 0.88 OPRL1 (0.39) OPRL1OPRM1OPRD1HTR1ACCR1
SCHEMBL7965175 0.88 OPRL1 (0.47) OPRL1OPRM1HTR1ACCR1DRD2
SCHEMBL7200725 0.88 OPRL1 (0.41) OPRL1OPRM1OPRD1HTR1ACCR1
SCHEMBL7966386 0.86 LTA4H (0.38) OPRL1OPRM1OPRD1HTR1ATACR2

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 5 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-2000006082-A2 TREATMENT OF ANXIETY DISORDERS ELI LILLY AND COMPANY (US) 2000-02-10 WO 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