SCHEMBL9942263

SCHEMBL9942263

O=NC(=O)C(c1ccc(Cl)cc1)C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 4/20 0.44
▸ SLC6A2 P23975 2/20 0.44
▸ SLC6A4 P31645 2/20 0.44
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTR1E P28566 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ S1PR3 Q99500 1/20 0.41
▸ FFAR2 O15552 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ C3AR1 Q16581 1/20 0.39
▸ POLB P06746 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
SCHEMBL9942184 0.83 SLC6A3 (0.64) SLC6A3SLC6A2SLC6A4
SCHEMBL10694530 0.81 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4MEN1LMNA
SCHEMBL1565904 0.81 MEN1 (0.47) SLC6A3SLC6A2SLC6A4MEN1LMNA
SCHEMBL5736102 0.80 SLC6A3 (0.52) SLC6A3SLC6A2SLC6A4MEN1LMNA
SCHEMBL9942278 0.79 NPSR1 (0.44) SLC6A3
SCHEMBL3554782 0.76 SLC6A3 (0.72) SLC6A3SLC6A2SLC6A4
SCHEMBL1155818 0.75 FFAR2 (0.49) SLC6A3SLC6A2SLC6A4FFAR2GAA
SCHEMBL9644016 0.75 FFAR2 (0.49) SLC6A3SLC6A2SLC6A4FFAR2GAA
SCHEMBL6912071 0.74 FFAR2 (0.48) SLC6A3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL6912075 0.74 FFAR2 (0.48) SLC6A3SLC6A2SLC6A4MEN1KMT2A

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
WO-2012076466-A2 SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-14 — — WO disclosed
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