SCHEMBL7966027

SCHEMBL7966027

Cc1cccc(OCCC(O)N2CCC(O)(c3cnc4ccccc4c3)CC2)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.37
NOTUM Q6P988 1/20 0.36
GAA P10253 2/20 0.35
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
OPRL1 P41146 2/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
HTR1A P08908 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ABCB1 P08183 2/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR6 P50406 1/20 0.35

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
SCHEMBL7953961 0.88 OPRM1 (0.43) MAPTPOLBNPC1GAAOPRM1
SCHEMBL7953292 0.87 MAPT (0.41) MAPTNPC1GAAOPRM1OPRD1
SCHEMBL7968932 0.86 OPRM1 (0.35) NPC1OPRM1OPRD1OPRK1OPRL1
SCHEMBL7965358 0.86 PRMT5 (0.36) OPRM1OPRD1OPRK1OPRL1ABCB1
SCHEMBL8132545 0.85 NOTUM (0.33) MAPTNOTUMGAAOPRM1OPRD1
SCHEMBL7953681 0.85 ADRB2 (0.34) NOTUMOPRM1OPRD1OPRK1OPRL1
SCHEMBL7953383 0.85 HTR1A (0.40) OPRM1HTR1ALMNA
SCHEMBL7969474 0.84 MAPT (0.38) MAPTNPC1OPRM1OPRD1OPRK1
SCHEMBL7966948 0.84 OPRM1 (0.39) OPRM1OPRD1OPRK1OPRL1KDM4E
SCHEMBL8019949 0.84 L3MBTL1 (0.37) MAPTPOLBNPC1OPRM1OPRD1

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