SCHEMBL9757723

SCHEMBL9757723

COc1cccc(C(=O)O)c1Cc1cn(C)c2ccc(CCNC(=O)N(C)C)cc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.40
SPR P35270 1/20 0.39
KDM4E B2RXH2 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CNR1 P21554 1/20 0.39
CPT1A P50416 2/20 0.38
CPT1B Q92523 2/20 0.38
TP53 P04637 1/20 0.38
SNCA P37840 1/20 0.38
CPT2 P23786 1/20 0.38
HASPIN Q8TF76 1/20 0.37

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
SCHEMBL9488408 0.82 PLA2G4A (0.50) CPT1ACPT1BCPT2
SCHEMBL9490133 0.79 NQO2 (0.43) NQO2MTNR1AMTNR1BMEN1KMT2A
SCHEMBL9490119 0.77 MAPT (0.42) NQO2MTNR1AMTNR1BMEN1KMT2A
SCHEMBL9490117 0.74 NQO2 (0.45) NQO2MTNR1AMTNR1BMEN1KMT2A
SCHEMBL9488382 0.73 CYSLTR2 (0.57)
SCHEMBL9488822 0.73
SCHEMBL9488367 0.72 CYSLTR2 (0.62)
SCHEMBL8951179 0.72 CYSLTR1 (0.63) MEN1KMT2AMAPTCNR1
SCHEMBL9490186 0.72 PLA2G4A (0.41) MAPT
SCHEMBL9488613 0.69 CYSLTR2 (0.49) MAPT

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-5041460-A Antiallergens, antiinflammatory agents and leukotriene antagonists ICI AMERICAS INC. (US) 1991-08-20 US disclosed