SCHEMBL9568104

SCHEMBL9568104

CN(C(=O)c1ccc(-c2ccc(C(=N)N)cc2)cc1)[C@H]1CC[C@H](C(=O)OC2CCN(C(=O)OCc3ccccc3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
CYP2C19 P33261 1/20 0.48
GPR119 Q8TDV5 5/20 0.47
F2 P00734 2/20 0.45
PRSS1 P07477 2/20 0.45
TPSAB1 Q15661 2/20 0.45
TPSD1 Q9BZJ3 2/20 0.45
TPSG1 Q9NRR2 2/20 0.45
PLG P00747 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
USP30 Q70CQ3 1/20 0.43
MCHR1 Q99705 4/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRM4 P08173 1/20 0.39
ABL1 P00519 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
SCHEMBL9568143 0.83 PRSS1 (0.53) SMN1; SMN2CYP2C19F2PRSS1TPSAB1
SCHEMBL9568138 0.83 PRSS1 (0.53) SMN1; SMN2CYP2C19F2PRSS1TPSAB1
Hydrochloric Acid SCHEMBL9568096 0.77 MCHR1 (0.37) GPR119F2PRSS1TPSAB1TPSD1
SCHEMBL9568226 0.75 F2 (0.53) SMN1; SMN2CYP2C19GPR119F2PRSS1
SCHEMBL9568207 0.74 SMN1; SMN2 (0.45) SMN1; SMN2CYP2C19F2PRSS1TPSAB1
SCHEMBL9568212 0.74 SMN1; SMN2 (0.45) SMN1; SMN2CYP2C19F2PRSS1TPSAB1
SCHEMBL31452936 0.74 SMN1; SMN2 (0.65) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL12879090 0.74 SMN1; SMN2 (0.68) SMN1; SMN2CYP2C19F2PRSS1TPSAB1
Hydrochloric Acid SCHEMBL8887529 0.73 F2 (0.45) SMN1; SMN2F2PRSS1PLGPRSS2
SCHEMBL8887118 0.73 USP30 (0.44) F2PRSS1PRSS2PRSS3USP30

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
EP-0574808-A1 Amidine-biphenyl derivatives, process for their production & medical preparation containing them Dr. Karl Thomae GmbH (DE) 1993-12-22 EP disclosed