SCHEMBL31047336

SCHEMBL31047336

Cn1c(N2CCC(F)(F)CC2)nc2cccc(Br)c21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ PTPN11 Q06124 2/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ GRM2 Q14416 2/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ SMO Q99835 1/20 0.34
▸ HTR6 P50406 1/20 0.33

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
SCHEMBL7882986 0.80 PTPN11 (0.36) CRBNPTPN11HCRTR2SMN1; SMN2GRM2
SCHEMBL31047340 0.72 IDH1 (0.37) SMN1; SMN2OPRM1OPRD1SMO
SCHEMBL31047342 0.72 IDH1 (0.37) SMN1; SMN2OPRM1OPRD1SMO
SCHEMBL31047358 0.71 KIF18A (0.47) —
SCHEMBL31122306 0.66 GRM2 (0.39) KCNH2GRM2
SCHEMBL5448072 0.66 PRMT5 (0.64) MAOB
SCHEMBL2085938 0.66 SMN1; SMN2 (0.53) SMN1; SMN2KCNH2GRM2HSD11B1
SCHEMBL12472367 0.65 PRMT5 (0.38) SMN1; SMN2KCNH2GRM2
SCHEMBL29496124 0.65 GAA (0.43) PDE10A
SCHEMBL28722181 0.65 GAA (0.43) PDE10A

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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