SCHEMBL8878061

SCHEMBL8878061

COc1c(C(N)=O)ccc([O])c1CC1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.44
▸ HTR4 Q13639 1/20 0.44
▸ PARP10 Q53GL7 4/20 0.40
▸ PARP15 Q460N3 3/20 0.40
▸ LTB4R Q15722 5/20 0.38
▸ LTB4R2 Q9NPC1 2/20 0.38
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NNMT P40261 1/20 0.35
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ PARP2 Q9UGN5 1/20 0.34
▸ PTGER4 P35408 1/20 0.33
▸ APOBEC3A P31941 1/20 0.32
▸ APOBEC3G Q9HC16 1/20 0.32

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
SCHEMBL8878063 0.86 ACHE (0.44) ACHEHTR4PARP10PARP15LTB4R
SCHEMBL10690271 0.75 CYP2C9 (0.46) ACHEHTR4PARP10PARP15MEN1
SCHEMBL11039311 0.72 NNMT (0.52) PARP10MEN1KMT2ANNMTPARP2
SCHEMBL8900246 0.71 MEN1 (0.36) ACHEHTR4PARP10PARP15OPRM1
SCHEMBL28324547 0.70 PARP15 (0.50) PARP10PARP15PDE4DPARP2
SCHEMBL28871862 0.70 KDM4E (0.41) PARP10PARP15PARP2
SCHEMBL7594740 0.69 NNMT (0.40) PARP10PARP15LTB4RLTB4R2OPRK1
SCHEMBL8957045 0.68 ALDH1A1 (0.40) PARP10PARP15OPRM1OPRD1OPRK1
SCHEMBL5925577 0.68 NNMT (0.39) PARP10LTB4RLTB4R2OPRK1MEN1
SCHEMBL725668 0.67 HTR4 (0.66) ACHEHTR4MEN1KMT2A

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-5684162-A BENZAMIDE DERIVATIVES G.D. SEARLE & CO. (US) 1997-11-04 — — US disclosed
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