SCHEMBL7663161

SCHEMBL7663161

COC(=O)c1cc(COc2cc(Cl)c(C)cc2N)cc(-c2cccc(C(=N)N)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.42
F2 P00734 6/20 0.42
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
F10 P00742 2/20 0.38
MRGPRX1 Q96LB2 1/20 0.38
DHFR P00374 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
SCHEMBL7665750 0.91 MRGPRX4 (0.47) MRGPRX4F2RAB9ANPC1HPGD
SCHEMBL7660455 0.86 F2 (0.46) MRGPRX4F2F10MRGPRX1
SCHEMBL7661640 0.81 F2 (0.44) MRGPRX4F2RAB9ANPC1SMN1; SMN2
SCHEMBL7663227 0.80 PPIA (0.46) MRGPRX4F2RAB9ANPC1SMN1; SMN2
SCHEMBL7719048 0.80 F2 (0.66) MRGPRX4F2F10
SCHEMBL7664103 0.79 F10 (0.62) MRGPRX4F2F10
SCHEMBL7668085 0.79 F2 (0.58) MRGPRX4F2F10
SCHEMBL7665464 0.77 MRGPRX4 (0.54) MRGPRX4F2RAB9AKDM4ENPC1
SCHEMBL7658103 0.77 F2 (0.53) MRGPRX4F2RAB9AKDM4ENPC1
SCHEMBL7659032 0.76 PRSS1 (0.49) F2HPGDLMNAF10MRGPRX1

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
US-6348478-B1 BLOOD COAGULATION FACTORS AND ANTICOAGULANTS TEIJIN LIMITED (JP) 2002-02-19 US disclosed
EP-1043311-A1 BIPHENYLAMIDINE DERIVATIVES TEIJIN LIMITED (JP) 2000-10-11 EP disclosed