SCHEMBL8105737

SCHEMBL8105737

c1ccc(N2CC[N]C(N3CCCCC3)C2)nc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 1/20 0.43
GRM1 Q13255 3/20 0.43
KDM4E B2RXH2 4/20 0.42
GRIN2B Q13224 2/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CNR2 P34972 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL1897061 0.77 PLD1 (0.40) PLD1GRM1KDM4EGRIN2BGRIN2D
SCHEMBL2176945 0.74 L3MBTL3 (0.45) KDM4EGRIN2BALDH1A1HSD17B10DRD2
SCHEMBL60079 0.74 PLD1 (0.66) PLD1KDM4EGRIN2BGRIN2DGRIN3B
SCHEMBL3154137 0.74 PLD1 (0.66) PLD1KDM4EGRIN2BGRIN2DGRIN3B
SCHEMBL29389926 0.74 PLD1 (0.66) PLD1KDM4EGRIN2BGRIN2DGRIN3B
SCHEMBL19540186 0.74 PLD1 (0.66) PLD1KDM4EGRIN2BGRIN2DGRIN3B
SCHEMBL28101766 0.73 HRH3 (0.56) PLD1
Hydrochloric Acid SCHEMBL10642748 0.72 PLD1 (0.63) PLD1KDM4EGRIN2BGRIN2DGRIN3B
Lithium SCHEMBL31260780 0.72 PLD1 (0.63) PLD1KDM4EGRIN2BGRIN2DGRIN3B
Hydrochloric Acid SCHEMBL30864277 0.72 PLD1 (0.63) PLD1KDM4EGRIN2BGRIN2DGRIN3B

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
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US disclosed
US-6130220-A ENZYME INHIBITORS SYNTEX (USA) INC. (US) 2000-10-10 US disclosed
US-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 US disclosed