SCHEMBL7969776

SCHEMBL7969776

CSc1ccc(OC(O)CCN2CCC(O)(c3cnc4ccccc4c3)CC2)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.35
HTR1A P08908 2/20 0.33
DRD2 P14416 3/20 0.33
DRD3 P35462 3/20 0.33
DRD4 P21917 2/20 0.33
OPRM1 P35372 2/20 0.33
ABCB1 P08183 4/20 0.33
LTA4H P09960 2/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
OPRD1 P41143 1/20 0.32
TACR2 P21452 3/20 0.32
TACR1 P25103 1/20 0.31

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
SCHEMBL7953304 0.90 OPRL1 (0.38) OPRL1HTR1AOPRM1ABCB1LTA4H
SCHEMBL7965200 0.88 LTA4H (0.38) OPRL1HTR1ADRD2DRD3DRD4
SCHEMBL7968938 0.86 OPRL1 (0.38) OPRL1HTR1ADRD2DRD3OPRM1
SCHEMBL7962733 0.86 ABCB1 (0.39) OPRL1HTR1ADRD2DRD3ABCB1
SCHEMBL7969773 0.85 ABCB1 (0.47) ABCB1
SCHEMBL7966030 0.84 ABCB1 (0.38) OPRL1HTR1ADRD2OPRM1ABCB1
SCHEMBL7953684 0.84 OPRL1 (0.36) OPRL1HTR1AOPRM1ABCB1LTA4H
SCHEMBL7953964 0.83 HTR1A (0.40) OPRL1HTR1ADRD2DRD3OPRM1
SCHEMBL7953354 0.83 ALPL (0.36) OPRL1HTR1ADRD2DRD3HTR2A
SCHEMBL8132545 0.83 NOTUM (0.33) OPRL1HTR1ADRD2DRD3DRD4

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