SCHEMBL7965175

SCHEMBL7965175

OC(CCN1CCC(O)(c2cnc3ccccc3c2)CC1)Oc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.47
OPRM1 P35372 1/20 0.47
CCR1 P32246 7/20 0.44
HTR1A P08908 4/20 0.42
DRD2 P14416 4/20 0.42
HTR2A P28223 4/20 0.42
DRD3 P35462 4/20 0.42
HTR7 P34969 3/20 0.42
SLC6A4 P31645 2/20 0.42
DRD1 P21728 1/20 0.42
DRD5 P21918 1/20 0.42
SLC6A2 P23975 1/20 0.42
HRH1 P35367 1/20 0.42
HTR2B P41595 1/20 0.42
DRD4 P21917 3/20 0.42

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
SCHEMBL7969555 0.92 OPRL1 (0.45) OPRL1OPRM1CCR1HTR1A
SCHEMBL7953579 0.91 CCR1 (0.41) OPRL1OPRM1CCR1HTR1A
SCHEMBL7969312 0.91 LTA4H (0.45) OPRL1OPRM1CCR1HTR1A
SCHEMBL7953456 0.91 OPRL1 (0.39) OPRL1OPRM1CCR1HTR1ADRD2
SCHEMBL7953348 0.91 MEN1 (0.47) OPRL1OPRM1CCR1HTR1ADRD2
SCHEMBL7966953 0.91 OPRL1 (0.39) OPRL1OPRM1CCR1HTR1A
SCHEMBL7200725 0.90 OPRL1 (0.41) OPRL1OPRM1CCR1HTR1A
SCHEMBL7966386 0.89 LTA4H (0.38) OPRL1OPRM1HTR1ADRD3
SCHEMBL7953361 0.88 OPRL1 (0.39) OPRL1OPRM1CCR1HTR1ADRD2
SCHEMBL7964394 0.88 OPRL1 (0.43) OPRL1OPRM1CCR1HTR1ADRD2

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