SCHEMBL7960583

SCHEMBL7960583

NCC1CCC(CNC(=O)N2CCCN(C(=O)O)CC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 8/20 0.64
TPSD1 Q9BZJ3 8/20 0.64
TPSG1 Q9NRR2 8/20 0.64
CYP2D6 P10635 1/20 0.50
CNR1 P21554 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
F2R P25116 1/20 0.39
PLG P00747 1/20 0.39
PLAT P00750 1/20 0.39
LMNA P02545 1/20 0.39
CSNK1E P49674 1/20 0.38
EPHX2 P34913 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7483058 0.83 TPSAB1 (0.64) TPSAB1TPSD1TPSG1CYP2D6CNR1
SCHEMBL8396874 0.81 TPSAB1 (0.55) TPSAB1TPSD1TPSG1CNR1TDP1
SCHEMBL8392252 0.79 TPSAB1 (0.54) TPSAB1TPSD1TPSG1CNR1TDP1
SCHEMBL7420561 0.78 TPSAB1 (1.00) TPSAB1TPSD1TPSG1PLG
SCHEMBL3791428 0.77 KDM4E (0.54) TPSAB1TPSD1TPSG1CYP2D6CNR1
SCHEMBL7413129 0.77 TPSAB1 (0.68) TPSAB1TPSD1TPSG1CYP2D6CNR1
SCHEMBL8391191 0.76 TPSAB1 (0.54) TPSAB1TPSD1TPSG1CNR1TDP1
SCHEMBL8392241 0.76 HRH3 (0.54) TPSAB1TPSD1TPSG1CYP2D6CNR1
SCHEMBL30440562 0.74 CHRM3 (0.46) TPSAB1TPSD1TPSG1CYP2D6ITGB3
SCHEMBL3249887 0.74 HRH3 (0.56) TPSAB1TPSD1TPSG1CYP2D6CNR1

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
US-6211228-B1 COMPOUNDS WITH AMINO, GUANIDINO AND AMIDINO HETEROCYCLIC COMPOUNDS AXYS PHARMACEUTICALS, INC 2001-04-03 US disclosed