SCHEMBL3906910

SCHEMBL3906910

N=C(N)c1cccc(OC[C@H](N)Cc2ccc(OC3CCN(C(=O)OCc4ccccc4)CC3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.51
LNPEP Q9UIQ6 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP2C19 P33261 1/20 0.45
F2 P00734 4/20 0.45
PLG P00747 3/20 0.45
PRSS1 P07477 3/20 0.45
PRSS2 P07478 3/20 0.45
PRSS3 P35030 3/20 0.45
TPSAB1 Q15661 1/20 0.45
TPSD1 Q9BZJ3 1/20 0.45
TPSG1 Q9NRR2 1/20 0.45
OPRK1 P41145 1/20 0.44
HPN P05981 1/20 0.44
ST14 Q9Y5Y6 1/20 0.44
PLAT P00750 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL14132230 1.00 F10 (0.51) F10LNPEPSMN1; SMN2CYP2C19F2
Trifluoroacetic Acid SCHEMBL3907508 0.96 F10 (0.50) F10LNPEPSMN1; SMN2CYP2C19F2
Trifluoroacetic Acid SCHEMBL3900239 0.96 F10 (0.50) F10LNPEPSMN1; SMN2CYP2C19F2
SCHEMBL14132085 0.86 ST14 (0.48) F10LNPEPF2PLGHPN
SCHEMBL14132231 0.86 ST14 (0.53) F10F2PLGHPNST14
SCHEMBL14132293 0.83 F10 (0.57) F10F2PLGHPNST14
Trifluoroacetic Acid SCHEMBL3905613 0.83 ST14 (0.50) F10F2PLGHPNST14
Trifluoroacetic Acid SCHEMBL3900465 0.83 F10 (0.47) F10LNPEPF2PLGHPN
SCHEMBL14132066 0.83 ITGB3 (0.46) F10LNPEPF2PLGHPN
Trifluoroacetic Acid SCHEMBL3898369 0.80 F10 (0.44) F10LNPEPF2PLGHPN

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
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed