SCHEMBL9684908

SCHEMBL9684908

c1ccc(CCCNC2CCNCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 16/20 0.67
SIGMAR1 Q99720 4/20 0.67
GRIN1 Q05586 3/20 0.67
SOS1 Q07889 1/20 0.58
OPRM1 P35372 1/20 0.55
OPRL1 P41146 1/20 0.55
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49

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
SCHEMBL7317273 0.90 GRIN2B (0.65) GRIN2BSIGMAR1GRIN1SOS1OPRM1
SCHEMBL31336892 0.84 GNAI3 (0.49) GRIN2BSIGMAR1GRIN1SOS1OPRM1
SCHEMBL8821500 0.84 GRIN2B (0.52) GRIN2BSIGMAR1GRIN1SOS1OPRM1
SCHEMBL17484552 0.84 GRIN2B (0.52) GRIN2BSIGMAR1GRIN1SOS1
SCHEMBL30034899 0.84 GRIN2B (0.48) GRIN2BSIGMAR1GRIN1SOS1OPRM1
SCHEMBL17484496 0.84 GRIN2B (0.48) GRIN2BSIGMAR1GRIN1SOS1SLC6A2
SCHEMBL27929338 0.83 GRIN2B (0.71) GRIN2BSIGMAR1GRIN1OPRM1OPRL1
SCHEMBL25006478 0.82 GRIN2B (0.78) GRIN2BSIGMAR1GRIN1OPRM1OPRL1
SCHEMBL31336953 0.82 GRIN2B (0.47) GRIN2BSIGMAR1GRIN1SOS1OPRM1
SCHEMBL31336897 0.82 KDM4E (0.50) GRIN2BSIGMAR1GRIN1SOS1

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
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
US-5132311-A Prolonging cardiac action potential repolarization G. D. SEARLE & CO. (US) 1992-07-21 US disclosed