SCHEMBL13674804

SCHEMBL13674804

NC(=O)C[C@@H](Nc1ccc(F)cc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DCAF1 Q9Y4B6 5/20 0.51
▸ KLK7 P49862 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ EPHX1 P07099 1/20 0.43
▸ FNTA P49354 1/20 0.43
▸ FNTB P49356 1/20 0.43
▸ PGR P06401 1/20 0.43
▸ AR P10275 1/20 0.43

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
SCHEMBL8996250 0.84 EEF2K (0.51) FNTAFNTBNPC1RAB9A
SCHEMBL8996304 0.84 EEF2K (0.51) FNTAFNTBNPC1RAB9A
SCHEMBL29157134 0.79 CTSA (0.49) MEN1KMT2ACYP2C19LMNACYP1A2
SCHEMBL27733289 0.78 KMT2A (0.53) KLK7MEN1KMT2ACYP2C19LMNA
SCHEMBL9298256 0.75 EEF2K (0.48) CYP2C19LMNACYP1A2CYP3A4CYP2D6
SCHEMBL5691034 0.75 EEF2K (0.48) CYP2C19LMNACYP1A2CYP3A4CYP2D6
SCHEMBL14223257 0.74 FPR2 (0.47) MEN1KMT2ACYP2C19CYP1A2CYP3A4
SCHEMBL9169362 0.74 ALDH1A1 (0.47) ALDH1A1
SCHEMBL17375914 0.74 DCAF1 (0.53) DCAF1KMT2ACYP2C19LMNACYP1A2
SCHEMBL16348724 0.74 ALDH1A1 (0.56) DCAF1CYP2C19LMNACYP1A2CYP2D6

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
US-7601842-B2 Method for producing an optically active tetrahydroquinoline TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-13 — — US disclosed
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