SCHEMBL9505625

SCHEMBL9505625

CCCCCN(CCCCC)P(N)(=O)NCl

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35
FDPS P14324 4/20 0.34
GGPS1 O95749 4/20 0.33
DNM1 Q05193 3/20 0.33
SMPD1 P17405 2/20 0.33
AGTR1 P30556 1/20 0.33
OPRM1 P35372 1/20 0.33
PDE3A Q14432 1/20 0.33
LAP3 P28838 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP8 P22894 1/20 0.31
LPAR3 Q9UBY5 3/20 0.30
LPAR2 Q9HBW0 1/20 0.30

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
SCHEMBL11360763 0.74 DNM1 (0.44) S1PR2S1PR1S1PR3S1PR5FDPS
SCHEMBL3888704 0.72 MMP2 (0.34) MMP1MMP2MMP3MMP8
SCHEMBL11356909 0.71 S1PR2 (0.41) S1PR2S1PR1S1PR3S1PR5FDPS
SCHEMBL9876905 0.71 FDPS (0.36) S1PR2S1PR1S1PR3S1PR5FDPS
SCHEMBL3889905 0.69 MMP1 (0.41) S1PR2S1PR1S1PR3S1PR5FDPS
SCHEMBL8134649 0.69 DNM1 (0.48) S1PR2S1PR1S1PR3S1PR5FDPS
SCHEMBL9504098 0.68 S1PR2 (0.38) S1PR2S1PR1S1PR3S1PR5FDPS
SCHEMBL10995960 0.66 S1PR2 (0.53) S1PR2S1PR1S1PR3S1PR5FDPS
SCHEMBL27673962 0.66 DNM1 (0.44) S1PR2S1PR1S1PR3S1PR5FDPS
SCHEMBL10975325 0.65 TSHR (0.34) S1PR2S1PR1S1PR3S1PR5FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0370317-B1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 2-CHLOROPYRIDINES BAYER AG (DE) 1993-06-02 EP claimed
US-5010201-A Process for the preparation of substituted 2-chloropyridines BAYER AKTIENGESELLSCHAFT (DE) 1991-04-23 US claimed
US-5010201-A Process for the preparation of substituted 2-chloropyridines BAYER AKTIENGESELLSCHAFT (DE) 1991-04-23 US disclosed