SCHEMBL28102426

SCHEMBL28102426

N#Cc1cccc(COc2cc[c]cc2Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 9/20 0.67
SLC6A4 P31645 2/20 0.49
HTR6 P50406 2/20 0.45
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
GRM5 P41594 2/20 0.42
CCR5 P51681 1/20 0.42

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
SCHEMBL5469717 0.83 MRGPRX4 (0.74) MRGPRX4SLC6A4HTR6FFAR1FFAR4
SCHEMBL693190 0.83 MRGPRX4 (0.51) MRGPRX4SLC6A4HTR6FFAR1FFAR4
SCHEMBL9035362 0.83 MRGPRX4 (0.52) MRGPRX4SLC6A4HTR6FFAR1FFAR4
SCHEMBL22480554 0.81 MRGPRX4 (1.00) MRGPRX4SLC6A4GRM5
SCHEMBL985802 0.81 EGFR (0.47) MRGPRX4MAOB
SCHEMBL1446254 0.79 HPGD (0.46) MRGPRX4MAOB
SCHEMBL22480929 0.79 MRGPRX4 (0.68) MRGPRX4SLC6A4HTR6FFAR1FFAR4
SCHEMBL22469778 0.78 MRGPRX4 (0.76) MRGPRX4SLC6A4HTR6PDCD1CD274
SCHEMBL31568445 0.78 MRGPRX4 (0.76) MRGPRX4SLC6A4HTR6PDCD1CD274
SCHEMBL14854689 0.78 MRGPRX4 (0.76) MRGPRX4SLC6A4HTR6FFAR1FFAR4

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-102933578-B Cyano-quinoline derivatives 天津和美生物技术有限公司 2016-09-07 CN claimed