SCHEMBL7962985

SCHEMBL7962985

OC(CCN1CCC(O)(c2cnc3ccccc3c2)CC1)Oc1ccc2ncccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.39
OPRL1 P41146 2/20 0.39
HTR1A P08908 2/20 0.39
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP2D6 P10635 1/20 0.37
OPRM1 P35372 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
RAB9A P51151 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
CCR1 P32246 1/20 0.35
NR2F2 P24468 1/20 0.35
TACR2 P21452 1/20 0.35
TACR1 P25103 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
SCHEMBL7953290 0.95 LTA4H (0.38) LTA4HOPRL1HTR1AALDH1A1OPRM1
SCHEMBL7200725 0.93 OPRL1 (0.41) LTA4HOPRL1HTR1AALDH1A1OPRM1
SCHEMBL7969555 0.89 OPRL1 (0.45) LTA4HOPRL1HTR1AALDH1A1OPRM1
SCHEMBL7969481 0.88 LTA4H (0.38) LTA4HOPRL1HTR1AALDH1A1OPRM1
SCHEMBL7953456 0.88 OPRL1 (0.39) LTA4HOPRL1HTR1AALDH1A1OPRM1
SCHEMBL7965175 0.88 OPRL1 (0.47) OPRL1HTR1AOPRM1CCR1
SCHEMBL7953348 0.88 MEN1 (0.47) LTA4HOPRL1HTR1AALDH1A1OPRM1
SCHEMBL7969312 0.88 LTA4H (0.45) LTA4HOPRL1HTR1AALDH1A1OPRM1
SCHEMBL7966953 0.88 OPRL1 (0.39) LTA4HOPRL1HTR1AALDH1A1OPRM1
SCHEMBL7969072 0.87 PRMT5 (0.39) LTA4HOPRL1HTR1AMAPTALDH1A1

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