SCHEMBL14614802

SCHEMBL14614802

CCc1cc(F)c(N2CCOCC2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 4/20 0.46
▸ PDE3A Q14432 4/20 0.46
▸ MAOA P21397 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ TRPV1 Q8NER1 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP2A13 Q16696 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA13 Q8N1Q1 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL21593836 0.86 NPC1 (0.42) PDE3BPDE3AMAOANPC1ALDH1A1
SCHEMBL7473916 0.82 MAOA (0.44) PDE3BPDE3AMAOANPC1ALDH1A1
SCHEMBL4022214 0.82 NCF1 (0.46) PDE3BPDE3AMAOANPC1ALDH1A1
SCHEMBL21444532 0.81 ALDH1A1 (0.41) NPC1ALDH1A1TRPV1SMN1; SMN2MEN1
SCHEMBL22996784 0.79 PDE3B (0.46) PDE3BPDE3AMAOAALDH1A1SMN1; SMN2
SCHEMBL22242835 0.79 MAOA (0.40) PDE3BPDE3AMAOANPC1ALDH1A1
SCHEMBL24451262 0.79 HTR2C (0.47) ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL7812585 0.78 NPC1 (0.57) PDE3BPDE3ANPC1ALDH1A1SMN1; SMN2
SCHEMBL12831239 0.76 KDM4E (0.44) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL18879756 0.76 HRH3 (0.47) ALDH1A1SMN1; SMN2CYP2A13MAPTL3MBTL1

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-1757591-A1 CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-02-28 — — EP disclosed
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