SCHEMBL7968938

SCHEMBL7968938

CSc1ccccc1OC(O)CCN1CCC(O)(c2cnc3ccccc3c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.38
ABCB1 P08183 6/20 0.36
HTR1A P08908 2/20 0.35
OPRM1 P35372 2/20 0.35
LTA4H P09960 2/20 0.34
OPRD1 P41143 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
DRD3 P35462 1/20 0.34
CCR1 P32246 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
TACR2 P21452 2/20 0.33
TACR1 P25103 1/20 0.33

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
SCHEMBL7953964 0.88 HTR1A (0.40) OPRL1ABCB1HTR1AOPRM1OPRD1
SCHEMBL7969776 0.86 OPRL1 (0.35) OPRL1ABCB1HTR1AOPRM1LTA4H
SCHEMBL7966030 0.86 ABCB1 (0.38) OPRL1ABCB1HTR1AOPRM1LTA4H
SCHEMBL7965200 0.86 LTA4H (0.38) OPRL1HTR1AOPRM1LTA4HOPRD1
SCHEMBL7969555 0.84 OPRL1 (0.45) OPRL1HTR1AOPRM1LTA4HOPRD1
SCHEMBL7953304 0.84 OPRL1 (0.38) OPRL1ABCB1HTR1AOPRM1LTA4H
SCHEMBL7968936 0.84 ABCB1 (0.52) ABCB1HTR1AOPRM1OPRD1DRD2
SCHEMBL7965525 0.83 OPRL1 (0.35) OPRL1ABCB1HTR1AOPRM1LTA4H
SCHEMBL7953348 0.83 MEN1 (0.47) OPRL1HTR1AOPRM1LTA4HOPRD1
SCHEMBL7966953 0.83 OPRL1 (0.39) OPRL1HTR1AOPRM1LTA4HOPRD1

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