SCHEMBL10645248

SCHEMBL10645248

CCCCC(NC(CCC)c1ccccc1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ ACP3 P15309 1/20 0.44
▸ GRM8 O00222 2/20 0.44
▸ GRM4 Q14833 2/20 0.44
▸ LMNA P02545 4/20 0.43
▸ CYP2C9 P11712 3/20 0.43
▸ CYP2C19 P33261 3/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL10645654 0.81 GRM8 (0.52) SMN1; SMN2L3MBTL1HTTGRM8GRM4
SCHEMBL10647935 0.80 GRM8 (0.49) SMN1; SMN2L3MBTL1HTTACP3GRM8
SCHEMBL10647887 0.79 LMNA (0.41) L3MBTL1GRM8GRM4LMNACYP2C9
SCHEMBL10648100 0.78 HTT (0.45) L3MBTL1HTTGRM8GRM4LMNA
SCHEMBL10646343 0.78 AOC3 (0.41) HTTCYP3A4ALDH1A1KDM4E
SCHEMBL10349304 0.78 POLB (0.47) ALDH1A1KDM4E
SCHEMBL19339253 0.77 L3MBTL1 (0.60) SMN1; SMN2L3MBTL1HTTACP3GRM8
SCHEMBL10644965 0.76 GRM8 (0.42) SMN1; SMN2L3MBTL1HTTGRM8GRM4
SCHEMBL10648725 0.76 CTSV (0.45) ALDH1A1KMT2AMEN1
SCHEMBL28490652 0.76 L3MBTL1 (0.46) SMN1; SMN2L3MBTL1HTTACP3GRM8

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
US-4752621-A Arylalkyl amines useful for lowering intraocular pressure SYNTEX (U.S.A.) INC. (US) 1988-06-21 — — US disclosed
US-4642378-A Arylalkyl amines useful for lowering intraocular pressure SYNTEX (U.S.A.) INC. (US) 1987-02-10 — — US disclosed
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