SCHEMBL7964394

SCHEMBL7964394

OC(CCN1CCC(O)(c2cnc3ccccc3c2)CC1)Oc1ccc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.43
OPRM1 P35372 3/20 0.43
CCR1 P32246 4/20 0.39
HTR1A P08908 3/20 0.39
DRD2 P14416 3/20 0.39
DRD4 P21917 3/20 0.39
HTR2A P28223 3/20 0.39
DRD3 P35462 3/20 0.39
HTR7 P34969 2/20 0.39
SLC6A4 P31645 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
OPRD1 P41143 1/20 0.37

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
SCHEMBL7965175 0.88 OPRL1 (0.47) OPRL1OPRM1CCR1HTR1ADRD2
SCHEMBL7965119 0.86 OPRM1 (0.39) OPRL1OPRM1CCR1HTR1ADRD2
SCHEMBL7963819 0.85 MAOA (0.46) OPRM1CCR1HTR1ADRD2DRD4
SCHEMBL7953964 0.84 HTR1A (0.40) OPRL1OPRM1HTR1ADRD2HTR2A
SCHEMBL7953354 0.84 ALPL (0.36) OPRL1HTR1ADRD2HTR2ADRD3
SCHEMBL7969555 0.84 OPRL1 (0.45) OPRL1OPRM1CCR1HTR1AOPRD1
SCHEMBL7953304 0.84 OPRL1 (0.38) OPRL1OPRM1HTR1A
SCHEMBL7964392 0.84 CYP1A2 (0.58) CYP1A2CYP2D6
SCHEMBL7200725 0.82 OPRL1 (0.41) OPRL1OPRM1CCR1HTR1AOPRD1
SCHEMBL7966030 0.82 ABCB1 (0.38) OPRL1OPRM1HTR1ADRD2HTR2A

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 3 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
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