SCHEMBL31047332

SCHEMBL31047332

FC1(F)CN(c2ncc3c(Br)cccc3n2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 2/20 0.38
▸ BACE1 P56817 1/20 0.37
▸ HTR3A P46098 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ GRM5 P41594 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ PDE10A Q9Y233 2/20 0.32
▸ GAA P10253 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ DCTPP1 Q9H773 1/20 0.30
▸ ABL1 P00519 1/20 0.30

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
SCHEMBL31047362 0.72 MET (0.41) HTR3AHRH4PDE10AGAAHPGD
SCHEMBL15508940 0.71 NR1H2 (0.39) OPRM1OPRL1PDE10ATSHRALDH1A1
SCHEMBL31047359 0.70 ACACB (0.42) ACACBGAATSHRDYRK1A
SCHEMBL16277295 0.66 BACE1 (0.47) BACE1GRM5KCNH2ALDH1A1SMN1; SMN2
SCHEMBL31047329 0.66 BACE1 (0.47) BACE1GRM5KCNH2ALDH1A1SMN1; SMN2
SCHEMBL16755315 0.66 BACE1 (0.56) BACE1GRM5KCNH2OPRM1PDE10A
SCHEMBL31083305 0.63 BACE1 (0.43) BACE1GRM5KCNH2HPGDALDH1A1
SCHEMBL16755341 0.63 NUDT1 (0.44) BACE1GRM5KCNH2MAPTSMN1; SMN2
SCHEMBL31082814 0.63 BACE1 (0.43) BACE1GRM5KCNH2HPGDTSHR
SCHEMBL24756308 0.62 OPRM1 (0.38) BACE1OPRM1OPRL1PDE10AHPGD

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
WO-2024149189-A1 AROMATIC AMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 浙江海正药业股份有限公司 2024-07-18 — — WO disclosed
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