SCHEMBL9544244

SCHEMBL9544244

COC(=O)CNCCc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.51
CYP2D6 P10635 3/20 0.51
CYP2C19 P33261 3/20 0.51
GAA P10253 3/20 0.51
LMNA P02545 2/20 0.51
TAAR1 Q96RJ0 3/20 0.50
CNR1 P21554 3/20 0.49
FPR2 P25090 1/20 0.49
PLAAT3 P53816 2/20 0.47
PLAAT5 Q96KN8 2/20 0.47
PLAAT2 Q9NWW9 2/20 0.47
PLAAT4 Q9UL19 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GFER P55789 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 2/20 0.45
CYP4F2 P78329 1/20 0.45

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
SCHEMBL9544789 0.83 SMN1; SMN2 (0.61) GAATAAR1PLAAT3PLAAT5PLAAT2
SCHEMBL7246282 0.83 CA12 (0.56) CYP2D6GAATAAR1PLAAT3PLAAT5
SCHEMBL5004061 0.83 ALDH1A1 (0.54) CYP2C19LMNAMAPTNPC1RAB9A
SCHEMBL11296823 0.83 SLC2A1 (0.48) CYP1A2CYP2D6CYP2C19GAALMNA
SCHEMBL9542924 0.81 TAAR1 (0.55) TAAR1CNR1PLAAT3PLAAT5PLAAT2
Hydrochloric Acid SCHEMBL7301390 0.81 ALDH1A1 (0.53) CYP2C19LMNAMAPTNPC1RAB9A
SCHEMBL8780612 0.81 LMNA (0.55) CYP1A2CYP2D6CYP2C19GAALMNA
SCHEMBL4753824 0.81 KMT2A (0.50) GAACNR1PLAAT3PLAAT5PLAAT2
SCHEMBL4452224 0.79 IDO1 (0.54) CYP1A2CYP2D6CYP2C19GAALMNA
SCHEMBL197699 0.79 CYP11B1 (0.58) CYP1A2CYP2D6CYP2C19GAAPLAAT3

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-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed