SCHEMBL7969307

SCHEMBL7969307

OC(CCOc1ccc(Oc2ccccc2)cc1)N1CCC(O)(c2cnc3ccccc3c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.44
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRL1 P41146 7/20 0.36
OPRM1 P35372 6/20 0.36
OPRD1 P41143 6/20 0.36
OPRK1 P41145 6/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PARP10 Q53GL7 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CCR1 P32246 1/20 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
SCHEMBL7969551 0.96 MEN1 (0.41) LTA4HMEN1ALDH1A1LMNAKMT2A
SCHEMBL7953343 0.91 ALDH1A1 (0.46) LTA4HMEN1ALDH1A1LMNAKMT2A
SCHEMBL7953451 0.90 LTA4H (0.38) LTA4HMEN1ALDH1A1LMNAKMT2A
SCHEMBL7966948 0.90 OPRM1 (0.39) LTA4HMEN1ALDH1A1LMNAKMT2A
SCHEMBL7965171 0.90 DRD2 (0.41) LTA4HMEN1ALDH1A1LMNAKMT2A
SCHEMBL7200716 0.90 KDM4E (0.38) LTA4HMEN1ALDH1A1LMNAKMT2A
SCHEMBL7966382 0.89 OPRL1 (0.43) LTA4HMEN1ALDH1A1LMNAKMT2A
SCHEMBL7965195 0.89 MEN1 (0.38) LTA4HMEN1ALDH1A1LMNAKMT2A
SCHEMBL7953566 0.89 OPRM1 (0.39) LTA4HMEN1ALDH1A1LMNAKMT2A
SCHEMBL7965752 0.88 MEN1 (0.37) LTA4HMEN1ALDH1A1LMNAKMT2A

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-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