SCHEMBL16792966

SCHEMBL16792966

NCc1c(OC2CCCCC2)cccc1N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPH1 P17752 2/20 0.47
▸ MCHR1 Q99705 2/20 0.41
▸ CSNK2A1 P68400 2/20 0.40
▸ CARM1 Q86X55 2/20 0.40
▸ PRMT1 Q99873 2/20 0.40
▸ KEAP1 Q14145 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ LOX P28300 1/20 0.36
▸ LOXL2 Q9Y4K0 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPSR1 Q6W5P4 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
SCHEMBL16814974 0.97 TPH1 (0.47) TPH1MCHR1CSNK2A1CARM1PRMT1
SCHEMBL16814978 0.90 NCF1 (0.42) TPH1CARM1PRMT1KEAP1KDM4E
SCHEMBL16814975 0.90 TPH1 (0.41) TPH1CSNK2A1KEAP1HTR2CHTR2B
SCHEMBL16814969 0.81 GAA (0.47) TPH1KEAP1L3MBTL1KDM4ECYP2C19
SCHEMBL23708614 0.79 L3MBTL1 (0.46) MCHR1KEAP1HTR2CHTR2BL3MBTL1
SCHEMBL16793146 0.78 CSNK2A1 (0.44) MCHR1CSNK2A1CARM1PRMT1
SCHEMBL16793203 0.77 ALDH1A1 (0.46) TPH1KEAP1L3MBTL1KDM4EMEN1
SCHEMBL16814987 0.77 DPP4 (0.53) TPH1KEAP1L3MBTL1MEN1KMT2A
SCHEMBL16561643 0.77 DPP4 (0.53) TPH1KEAP1L3MBTL1MEN1KMT2A
SCHEMBL16792915 0.76 TPH1 (0.47) TPH1

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
WO-2015089137-A1 ACYLGUANIDINES AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS, INC. (US) 2015-06-18 — — WO disclosed
WO-2015089137-A1 ACYLGUANIDINES AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS, INC. (US) 2015-06-18 — — WO disclosed
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