SCHEMBL4418035

SCHEMBL4418035

Fc1ccc(C[CH]CCCc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.45
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KCNH2 Q12809 1/20 0.42
▸ MAOB P27338 3/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ PLAAT3 P53816 1/20 0.39
▸ PLAAT5 Q96KN8 1/20 0.39
▸ PLAAT2 Q9NWW9 1/20 0.39
▸ PLAAT4 Q9UL19 1/20 0.39

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
SCHEMBL1289581 0.89 MAOB (0.48) MAOBHTR2AALDH1A1SLC6A3SIGMAR1
SCHEMBL7041057 0.82 MAOB (0.50) LMNARAB9AMAOBKDM4EALDH1A1
SCHEMBL6682937 0.81 SIGMAR1 (0.50) MAOBSIGMAR1
SCHEMBL7490325 0.81 TAAR1 (0.48) MAOBTAAR1
SCHEMBL6981704 0.80 HTR2A (0.60) LMNANPC1RAB9AKCNH2MAOB
SCHEMBL12040571 0.78 MAOB (0.58) LMNANPC1RAB9AMAOBHTR2A
SCHEMBL3334933 0.78 SIGMAR1 (0.52) MAOBHTR2AALDH1A1SLC6A3SIGMAR1
SCHEMBL364290 0.76 MAOB (0.52) MAOBHTR2AALDH1A1TAAR1SIGMAR1
SCHEMBL11365627 0.76 CYP1A2 (0.49) KMT2ASIGMAR1
SCHEMBL654154 0.76 TAAR1 (0.56) LMNANPC1RAB9AKCNH2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480984-B9 HEXACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2009-03-11 — — EP disclosed
EP-1480984-B1 CONDENSED CAMPTOTHECINS AS ANTITUMOR AGENTS CHUGAI PHARMACEUTICAL CO LTD (JP) 2008-06-11 — — EP disclosed
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