SCHEMBL31336892

SCHEMBL31336892

Cc1ccc(CCCNC2CCNCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.49
GNAO1 P09471 2/20 0.49
GNAI1 P63096 2/20 0.49
GRIN2B Q13224 10/20 0.48
SIGMAR1 Q99720 4/20 0.48
GRIN1 Q05586 3/20 0.48
KDM4E B2RXH2 1/20 0.47
SOS1 Q07889 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
SPHK1 Q9NYA1 1/20 0.40
CXCL12 P48061 1/20 0.40
CXCR4 P61073 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4207773 0.90 SOS1 (0.46) GNAI3GNAO1GNAI1GRIN2BKDM4E
SCHEMBL22255203 0.85 KDM4E (0.44) GNAI3GNAO1GNAI1GRIN2BKDM4E
SCHEMBL8821500 0.84 GRIN2B (0.52) GNAI3GNAO1GNAI1GRIN2BSIGMAR1
SCHEMBL17484496 0.84 GRIN2B (0.48) GNAI3GNAO1GNAI1GRIN2BSIGMAR1
SCHEMBL17484552 0.84 GRIN2B (0.52) GNAI3GNAO1GNAI1GRIN2BSIGMAR1
SCHEMBL9684908 0.84 GRIN2B (0.67) GRIN2BSIGMAR1GRIN1SOS1SLC6A2
SCHEMBL31336953 0.82 GRIN2B (0.47) GNAI3GNAO1GNAI1GRIN2BSIGMAR1
SCHEMBL30034899 0.81 GRIN2B (0.48) GNAI3GNAO1GNAI1GRIN2BSIGMAR1
SCHEMBL17277494 0.79 ALDH1A1 (0.53) GNAI3GNAO1GNAI1KDM4ESOS1
SCHEMBL2466540 0.78 GRIN2B (0.51) GRIN2BKDM4EOPRM1OPRL1SPHK1

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-115151550-B External nucleotide pyrophosphatase/phosphodiesterase 1 (ENPP 1) modulators and uses thereof 桑福德·伯纳姆·普雷比医学发现研究所 2024-11-22 CN disclosed