SCHEMBL7963015

SCHEMBL7963015

COc1cccc(OCCC(O)N2CCC(O)(c3cnc4ccccc4c3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.44
OPRD1 P41143 4/20 0.44
OPRK1 P41145 4/20 0.44
OPRL1 P41146 4/20 0.44
ALDH1A1 P00352 5/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FAAH O00519 1/20 0.40
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
TP53 P04637 3/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HSP90AB1 P08238 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
THRB P10828 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
SCHEMBL7953343 0.92 ALDH1A1 (0.46) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL7969551 0.91 MEN1 (0.41) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL7200716 0.89 KDM4E (0.38) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL7969474 0.88 MAPT (0.38) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL7966948 0.88 OPRM1 (0.39) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL7953961 0.88 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL7969307 0.88 LTA4H (0.44) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL7962978 0.87 PPARG (0.39) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL7965195 0.86 MEN1 (0.38) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL7966382 0.86 OPRL1 (0.43) OPRM1OPRD1OPRK1OPRL1ALDH1A1

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-2000006082-A2 TREATMENT OF ANXIETY DISORDERS 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