SCHEMBL31482886

SCHEMBL31482886

CC(C)(C)ON=CC=NNc1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DEPTOR Q8TB45 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ RAPGEF4 Q8WZA2 1/20 0.35
▸ SMN1; SMN2 Q16637 5/20 0.34
▸ MAPT P10636 4/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MEN1 O00255 5/20 0.34
▸ KMT2A Q03164 5/20 0.34
▸ MMP1 P03956 3/20 0.34
▸ MMP2 P08253 3/20 0.34
▸ MMP9 P14780 3/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ HPGD P15428 1/20 0.33
▸ MAOB P27338 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
SCHEMBL28765248 1.00 DEPTOR (0.40) DEPTORALDH1A1POLBGAANPSR1
SCHEMBL29711832 0.84 DEPTOR (0.43) DEPTORALDH1A1GAARAPGEF4SMN1; SMN2
SCHEMBL28765184 0.84 DEPTOR (0.43) DEPTORALDH1A1GAARAPGEF4SMN1; SMN2
SCHEMBL28765241 0.84 DEPTOR (0.43) DEPTORALDH1A1GAARAPGEF4SMN1; SMN2
SCHEMBL31482885 0.80 DEPTOR (0.40) DEPTORALDH1A1POLBGAARAPGEF4
SCHEMBL22968434 0.80 DEPTOR (0.40) DEPTORALDH1A1POLBGAARAPGEF4
SCHEMBL31482887 0.78 TSHR (0.43) DEPTORGAASMN1; SMN2MAPTTP53
SCHEMBL28765116 0.78 TSHR (0.43) DEPTORGAASMN1; SMN2MAPTTP53
SCHEMBL31482884 0.77 DEPTOR (0.40) DEPTORALDH1A1GAASMN1; SMN2MAPT
SCHEMBL28765252 0.77 DEPTOR (0.40) DEPTORALDH1A1GAASMN1; SMN2MAPT

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-114555603-B Improved synthetic methods for preparing (2H-1, 2, 3-triazol-2-yl) phenyl compounds as orexin receptor modulators 詹森药业有限公司 2025-03-14 — — CN disclosed
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