SCHEMBL31293980

SCHEMBL31293980

O=C(c1cnn2ccsc12)N1CC2(CCC2)C1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPR P35270 14/20 0.43
SCD5 Q86SK9 1/20 0.37
GRM5 P41594 1/20 0.35
CYP3A4 P08684 4/20 0.35
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL31293865 0.85 VNN1 (0.37) SPR
SCHEMBL31293617 0.84 SPR (0.34) SPR
SCHEMBL31293554 0.74 SPR (0.39) SPR
SCHEMBL31293788 0.72 CHEK1 (0.44) SPRALDH1A1
SCHEMBL31293858 0.70 KMT2A (0.43) CYP3A4CYP2D6CYP2C9ALDH1A1CYP2C19
SCHEMBL31293471 0.70
SCHEMBL31293983 0.69 SPR (0.32) SPR
SCHEMBL31293822 0.69 ABHD6 (0.34) SPRALDH1A1
SCHEMBL30634133 0.59 HPGD (0.56) CYP3A4CYP2D6CYP2C9ALDH1A1CYP2C19
SCHEMBL30442555 0.58 PARP1 (0.50) SPR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4724439-A1 HETEROARYL DERIVATIVES AS DDRS INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2026-04-15 EP disclosed
WO-2024251855-A1 HETEROARYL DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-12-12 WO disclosed