SCHEMBL9021092

SCHEMBL9021092

CC(N)Cc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.91

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 3/20 0.61
▸ SLC6A2 P23975 2/20 0.59
▸ TAAR1 Q96RJ0 2/20 0.59
▸ SIGMAR1 Q99720 2/20 0.59
▸ MAOA P21397 2/20 0.59
▸ SLC6A4 P31645 2/20 0.59
▸ SLC6A3 Q01959 1/20 0.59
▸ CYP2A6 P11509 1/20 0.59
▸ ADORA2A P29274 1/20 0.59
▸ ADORA1 P30542 1/20 0.59
▸ MAOB P27338 3/20 0.58
▸ LAP3 P28838 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ FFAR1 O14842 1/20 0.52

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
SCHEMBL2750285 0.95 LTA4H (0.67) LTA4HSLC6A2TAAR1SIGMAR1MAOA
SCHEMBL2750286 0.95 LTA4H (0.67) LTA4HSLC6A2TAAR1SIGMAR1MAOA
SCHEMBL12532788 0.95 LTA4H (0.67) LTA4HSLC6A2TAAR1SIGMAR1MAOA
Hydrochloric Acid SCHEMBL9021063 0.94 MAOB (0.67) LTA4HSLC6A2TAAR1SIGMAR1MAOA
SCHEMBL8149586 0.84 SIGMAR1 (0.57) LTA4HSLC6A2SIGMAR1MAOASLC6A3
SCHEMBL8688015 0.83 SIGMAR1 (0.56) LTA4HSLC6A2SIGMAR1MAOASLC6A3
SCHEMBL2736160 0.82 LTA4H (0.61) LTA4HSLC6A2SIGMAR1MAOASLC6A3
SCHEMBL17413364 0.81 TAAR1 (0.75) SLC6A2TAAR1SIGMAR1MAOASLC6A4
SCHEMBL9417738 0.81 TAAR1 (0.75) SLC6A2TAAR1SIGMAR1MAOASLC6A4
SCHEMBL4075991 0.81 TAAR1 (0.75) SLC6A2TAAR1SIGMAR1MAOASLC6A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 — — EP disclosed
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