SCHEMBL24577684

SCHEMBL24577684

CCC1CCC(CCCCN)N1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 2/20 0.42
S1PR4 O95977 2/20 0.42
S1PR1 P21453 2/20 0.42
S1PR3 Q99500 2/20 0.42
S1PR5 Q9H228 2/20 0.42
SIGMAR1 Q99720 1/20 0.38
DNM1 Q05193 5/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
EPHX1 P07099 1/20 0.32

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
SCHEMBL14200092 0.80 S1PR2 (0.50) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL13535333 0.76
SCHEMBL1763282 0.76
SCHEMBL4368152 0.75
SCHEMBL5362759 0.75 S1PR2 (0.63) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL19441221 0.75 S1PR2 (0.40) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL15534599 0.75 S1PR2 (0.40) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL21984539 0.73 S1PR2 (0.61) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL10974751 0.72 S1PR2 (0.55) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL2015380 0.71 SIGMAR1 (0.33) S1PR2S1PR4S1PR1S1PR3S1PR5

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-2022136509-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2022-06-30 WO disclosed