SCHEMBL29031805

SCHEMBL29031805

NC(=O)CC(c1ccccc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 3/20 0.57
▸ CHRNB2 P17787 1/20 0.57
▸ CHRNA4 P43681 1/20 0.57
▸ PTGS2 P35354 1/20 0.48
▸ FFAR1 O14842 2/20 0.47
▸ ACP3 P15309 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ SLC6A3 Q01959 3/20 0.44
▸ DRD3 P35462 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ EDNRB P24530 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ MC4R P32245 1/20 0.44
▸ MC3R P41968 1/20 0.44

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
SCHEMBL1383474 0.90 CYP2C19 (0.67) CYP2C19CYP1A2CYP2D6PKMSMN1; SMN2
Hydrochloric Acid SCHEMBL29096814 0.88 CYP2C19 (0.65) CYP2C19CYP1A2CYP2D6PKMSMN1; SMN2
Hydrochloric Acid SCHEMBL5011439 0.88 CYP2C19 (0.65) CYP2C19CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL5499422 0.84 FFAR1 (0.59) CHRNB2CHRNA4PTGS2FFAR1ACP3
SCHEMBL3911220 0.83 CYP2C19 (0.67) CYP2C19CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL11489425 0.81 PTGS2 (0.55) CHRNB2CHRNA4PTGS2FFAR1KDM4E
Trifluoroacetic Acid SCHEMBL29921749 0.79 CYP2C19 (0.56) CYP2C19CYP1A2CYP2D6PKMSMN1; SMN2
Trifluoroacetic Acid SCHEMBL6378333 0.79 CYP2C19 (0.56) CYP2C19CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL2203786 0.79 CYP2C19 (0.56) CYP2C19CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL10483832 0.79 CYP2C19 (0.55) CYP2C19PTGS2KDM4ECYP1A2CYP2D6

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-116239974-A Film material and conductive adhesive film using the same 南通德聚半导体材料有限公司 2023-06-09 — — CN disclosed
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