SCHEMBL27273115

SCHEMBL27273115

CCc1ccc2[nH]cc(Cc3ccc(C(=O)OC)cc3OC)c2c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.63
CPT1A P50416 1/20 0.48
CPT1B Q92523 1/20 0.48
NPC1 O15118 1/20 0.47
SNCA P37840 2/20 0.47
IDO1 P14902 1/20 0.46
HTR1A P08908 2/20 0.46
HTR1D P28221 2/20 0.46
HTR1B P28222 2/20 0.46
CYSLTR2 Q9NS75 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
MAPT P10636 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL8528458 0.92 GPR84 (0.73) GPR84CPT1ACPT1BNPC1SNCA
SCHEMBL8427130 0.88 GPR84 (0.67) GPR84CPT1ACPT1BNPC1IDO1
SCHEMBL8951231 0.87 GPR84 (0.63) GPR84CPT1ACPT1BNPC1SNCA
SCHEMBL29251314 0.85 GPR84 (0.78) GPR84NPC1MAPTMEN1KMT2A
SCHEMBL9373490 0.85 GPR84 (0.60) GPR84CPT1ACPT1BNPC1SNCA
SCHEMBL9373131 0.84 GPR84 (0.59) GPR84CPT1ACPT1BNPC1SNCA
SCHEMBL8530246 0.83 GPR84 (0.65) GPR84CPT1ACPT1BSNCAIDO1
SCHEMBL3676424 0.83 GPR84 (0.58) GPR84NPC1GABRA1GABRB2MAPT
SCHEMBL29871648 0.83 GPR84 (0.87) GPR84NPC1HTR1AHTR1DHTR1B
SCHEMBL10644891 0.82 GPR84 (0.48) GPR84CPT1ACPT1BNPC1SNCA

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
CN-1017425-B Process for preparing heterocyclic amide derivatives ICI AMERICA INC (US) 1992-07-15 CN disclosed