SCHEMBL7962978

SCHEMBL7962978

OC(CCOc1ccc2ncccc2c1)N1CCC(O)(c2cnc3ccccc3c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
ALOX5 P09917 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
MCL1 Q07820 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LTA4H P09960 2/20 0.35
PDE2A O00408 1/20 0.35
PDE10A Q9Y233 1/20 0.35
NR2F2 P24468 1/20 0.35
LMNA P02545 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
HTT P42858 1/20 0.35
OPRM1 P35372 2/20 0.34

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
SCHEMBL7953284 0.94 PDE10A (0.40) PPARGPPARAALOX5CYP2D6ALDH1A1
SCHEMBL7200716 0.93 KDM4E (0.38) PPARGALDH1A1KDM4ESMN1; SMN2LTA4H
SCHEMBL7969551 0.89 MEN1 (0.41) ALDH1A1SMN1; SMN2LTA4HLMNACNR1
SCHEMBL7953343 0.89 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2LTA4HLMNA
SCHEMBL7969474 0.88 MAPT (0.38) ALDH1A1MAPTSMN1; SMN2LTA4HLMNA
SCHEMBL7953451 0.88 LTA4H (0.38) ALDH1A1LTA4HLMNACNR1CNR2
SCHEMBL7969307 0.88 LTA4H (0.44) ALDH1A1SMN1; SMN2LTA4HLMNACNR1
SCHEMBL7965171 0.88 DRD2 (0.41) ALDH1A1LTA4HLMNAOPRM1OPRD1
SCHEMBL7966948 0.88 OPRM1 (0.39) ALDH1A1KDM4ESMN1; SMN2LTA4HLMNA
SCHEMBL7969068 0.87 LMNA (0.41) PPARGALDH1A1MAPTMCL1KDM4E

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