SCHEMBL7964900

SCHEMBL7964900

OC(CCOc1ccc(C(F)(F)F)cc1)N1CCC(O)(c2cnc3ccccc3c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.41
OPRM1 P35372 3/20 0.41
OPRD1 P41143 3/20 0.41
OPRK1 P41145 2/20 0.41
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
DRD2 P14416 4/20 0.37
LTA4H P09960 2/20 0.36
GRM2 Q14416 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CACNA1G O43497 2/20 0.35
KCNH2 Q12809 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
DRD1 P21728 1/20 0.35
DRD3 P35462 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
SCHEMBL7953357 0.91 MCHR1 (0.40) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL7965752 0.91 MEN1 (0.37) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL7969551 0.90 MEN1 (0.41) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL7953343 0.89 ALDH1A1 (0.46) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL7953451 0.88 LTA4H (0.38) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL7965171 0.88 DRD2 (0.41) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL7966948 0.88 OPRM1 (0.39) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL7969307 0.88 LTA4H (0.44) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL7200716 0.88 KDM4E (0.38) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL7966382 0.86 OPRL1 (0.43) OPRL1OPRM1OPRD1OPRK1ALDH1A1

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