SCHEMBL31465948

SCHEMBL31465948

Cc1ccc(-n2nc(N3CCNCC3)cc2-c2ccc(Cl)cc2)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BPTF Q12830 3/20 0.45
▸ HTR3A P46098 6/20 0.43
▸ HTR3E A5X5Y0 3/20 0.43
▸ HTR3B O95264 3/20 0.43
▸ HTR3D Q70Z44 3/20 0.43
▸ HTR3C Q8WXA8 3/20 0.43
▸ ADRB1 P08588 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ HTR1A P08908 3/20 0.39
▸ HTR7 P34969 2/20 0.39
▸ HTR2B P41595 2/20 0.39
▸ HTR6 P50406 2/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR5A P47898 1/20 0.39
▸ SOS1 Q07889 1/20 0.38
▸ CSNK1E P49674 1/20 0.37
▸ MAPKAPK2 P49137 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL31466522 0.82 ALDH1A1 (0.44) SIGMAR1ALDH1A1HTTSMN1; SMN2
SCHEMBL31466203 0.81 CACNA1B (0.44) MAPKAPK2ALDH1A1
SCHEMBL31466011 0.78 CACNB4 (0.46) HTTSMN1; SMN2
SCHEMBL8326134 0.76 BPTF (0.62) BPTFHTR3AHTR3EHTR3BHTR3D
SCHEMBL31465933 0.71 ADRB1 (0.56) BPTFHTR3AHTR3EHTR3BHTR3D
SCHEMBL6359735 0.70 BPTF (0.56) BPTFHTR3AHTR3EHTR3BHTR3D
SCHEMBL31466176 0.70 PRCP (0.52) —
SCHEMBL14529228 0.70 MAP4K4 (0.34) SIGMAR1ALDH1A1HTTSMN1; SMN2
SCHEMBL31466136 0.69 CACNB4 (0.47) HTTSMN1; SMN2
SCHEMBL31466010 0.69 PRCP (0.51) —

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-2025049419-A1 PYRAZOLYL COMPOUNDS AS EMOPAMIL BINDING PROTEIN INHIBITORS GENZYME CORPORATION (US) 2025-03-06 — — WO disclosed
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