SCHEMBL20459850

SCHEMBL20459850

C=C(C)CCc1cccc(N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.55
▸ MAOB P27338 2/20 0.55
▸ CYP19A1 P11511 1/20 0.53
▸ SIGMAR1 Q99720 2/20 0.43
▸ THRA P10827 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ NOS1 P29475 2/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ GRM2 Q14416 1/20 0.38
▸ GRM3 Q14832 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38

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
SCHEMBL1554681 0.86 ALDH1A1 (0.43) NOS1ALDH1A1LMNA
SCHEMBL28747186 0.85 MAOA (0.59) MAOAMAOBCYP19A1SIGMAR1THRA
SCHEMBL1818277 0.81 ALDH1A1 (0.60) MAOAMAOBCYP19A1SIGMAR1THRA
SCHEMBL20321744 0.81 MAOB (0.48) MAOAMAOBCYP19A1SIGMAR1CYP3A4
SCHEMBL10907937 0.79 DRD2 (0.55) —
SCHEMBL22527126 0.79 MAOA (0.52) MAOAMAOBCYP19A1SIGMAR1THRA
SCHEMBL16335062 0.78 HTR3E (0.54) FFAR1ALDH1A1
SCHEMBL16335080 0.78 TAAR1 (0.53) MAOBSIGMAR1THRATHRBFFAR1
SCHEMBL26343229 0.78 ALDH1A1 (0.37) NOS1FFAR1ALDH1A1
SCHEMBL1026806 0.78 MAOB (0.71) MAOAMAOBCYP19A1SIGMAR1CYP3A4

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-3562823-B1 FUNCTIONALIZED NANOLUC INHIBITORS PROMEGA CORP (US) 2023-02-08 — — EP disclosed
EP-2861304-B1 COMPOSITIONS COMPRISING HYALURONAN BIOSYNTHESIS PROMOTING AGENTS SYMRISE AG (DE) 2018-08-08 — — EP disclosed
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