SCHEMBL7969481

SCHEMBL7969481

Cc1ccc(OC(O)CCN2CCC(O)(c3cnc4ccccc4c3)CC2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.38
OPRL1 P41146 3/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
HTR1A P08908 1/20 0.35
OPRM1 P35372 2/20 0.35
ABCB1 P08183 2/20 0.35
TACR2 P21452 1/20 0.34
SLC6A1 P30531 1/20 0.34
SLC6A12 P48065 1/20 0.34
SLC6A11 P48066 1/20 0.34
OPRD1 P41143 1/20 0.34
CCR1 P32246 1/20 0.34
FAAH O00519 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
SCHEMBL7966953 0.91 OPRL1 (0.39) LTA4HOPRL1ALDH1A1MEN1LMNA
SCHEMBL7200725 0.91 OPRL1 (0.41) LTA4HOPRL1ALDH1A1MEN1LMNA
SCHEMBL7953494 0.91 ABCB1 (0.41) LTA4HOPRL1ALDH1A1MEN1LMNA
SCHEMBL7953456 0.89 OPRL1 (0.39) LTA4HOPRL1ALDH1A1MEN1LMNA
SCHEMBL7953348 0.89 MEN1 (0.47) LTA4HOPRL1ALDH1A1MEN1LMNA
SCHEMBL7969555 0.89 OPRL1 (0.45) LTA4HOPRL1ALDH1A1MEN1LMNA
SCHEMBL7962985 0.88 LTA4H (0.39) LTA4HOPRL1ALDH1A1MEN1LMNA
SCHEMBL7966386 0.87 LTA4H (0.38) LTA4HOPRL1ALDH1A1MEN1LMNA
SCHEMBL7963021 0.87 ALDH1A1 (0.43) OPRL1ALDH1A1MEN1LMNAKMT2A
SCHEMBL7953579 0.87 CCR1 (0.41) LTA4HOPRL1ALDH1A1MEN1LMNA

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 3 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
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