SCHEMBL7965366

SCHEMBL7965366

OC(CCN1CCC(O)(c2cnc3ccccc3c2)CC1)Oc1cccc2c1CCC2

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.38
WDR77 Q9BQA1 1/20 0.38
OPRL1 P41146 3/20 0.36
OPRM1 P35372 2/20 0.35
OPRD1 P41143 1/20 0.35
HTR1A P08908 1/20 0.34
ABCB1 P08183 8/20 0.33
LTA4H P09960 2/20 0.33
S1PR5 Q9H228 1/20 0.33
ITGA4 P13612 1/20 0.32
ITGB7 P26010 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
SCHEMBL7953684 0.89 OPRL1 (0.36) PRMT5WDR77OPRL1OPRM1OPRD1
SCHEMBL7966030 0.86 ABCB1 (0.38) OPRL1OPRM1OPRD1HTR1AABCB1
SCHEMBL7953964 0.85 HTR1A (0.40) OPRL1OPRM1OPRD1HTR1AABCB1
SCHEMBL7964785 0.84 LMNA (0.40) PRMT5WDR77OPRL1OPRM1HTR1A
SCHEMBL7965363 0.84 PRMT5 (0.48) PRMT5WDR77ABCB1
SCHEMBL7969555 0.82 OPRL1 (0.45) PRMT5WDR77OPRL1OPRM1OPRD1
SCHEMBL7969072 0.82 PRMT5 (0.39) PRMT5WDR77OPRL1OPRM1HTR1A
SCHEMBL7968938 0.82 OPRL1 (0.38) OPRL1OPRM1OPRD1HTR1AABCB1
SCHEMBL7953304 0.82 OPRL1 (0.38) OPRL1OPRM1HTR1AABCB1LTA4H
SCHEMBL7965358 0.82 PRMT5 (0.36) PRMT5WDR77OPRL1OPRM1OPRD1

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