SCHEMBL10644965

SCHEMBL10644965

CCCCc1ccc(CNC(CCCC)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM8 O00222 3/20 0.42
▸ GRM4 Q14833 3/20 0.42
▸ KCNH2 Q12809 1/20 0.41
▸ STING1 Q86WV6 1/20 0.41
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RECQL P46063 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 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
SCHEMBL10647935 0.87 GRM8 (0.49) GRM8GRM4CYP2D6CYP2C9CYP2C19
SCHEMBL10645654 0.84 GRM8 (0.52) GRM8GRM4CYP2D6CYP2C9CYP2C19
SCHEMBL10645930 0.84 GRM8 (0.45) GRM8GRM4CYP2D6CYP2C9CYP2C19
SCHEMBL10647825 0.82 KCNH2 (0.46) GRM8GRM4KCNH2CYP2D6CYP2C9
SCHEMBL10645819 0.80 HTR2A (0.38) SMN1; SMN2
SCHEMBL10647905 0.78 MAPT (0.46) GRM8GRM4LMNAHTTSMN1; SMN2
SCHEMBL10645248 0.76 SMN1; SMN2 (0.44) GRM8GRM4CYP2D6CYP2C9CYP2C19
SCHEMBL10650137 0.75 MAPT (0.46) GRM8GRM4LMNA
SCHEMBL19339253 0.73 L3MBTL1 (0.60) GRM8GRM4CYP2D6CYP2C9CYP2C19
SCHEMBL24194434 0.73 SMN1; SMN2 (0.50) GRM8GRM4CYP2D6CYP2C9CYP2C19

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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