SCHEMBL7418281

SCHEMBL7418281

Cn1c(CNc2ccc(C#N)cc2)nc2cc(CNC(=O)N3CCCC3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.49
F10 P00742 2/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
GLA P06280 2/20 0.46
HDAC6 Q9UBN7 3/20 0.46
CHRNA7 P36544 1/20 0.45
ITK Q08881 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RECQL P46063 1/20 0.40

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
Hydrochloric Acid SCHEMBL7407790 0.84 F2 (0.67) F2F10PRSS1PRSS2PRSS3
SCHEMBL7418283 0.80 F2 (0.49) F2F10PRSS1PRSS2PRSS3
SCHEMBL4937046 0.80 F2 (0.49) F2F10PRSS1PRSS2PRSS3
SCHEMBL4937057 0.80 F2 (0.49) F2F10PRSS1PRSS2PRSS3
SCHEMBL7418277 0.80 CHRNA7 (0.44) SMN1; SMN2GLACHRNA7ITKMEN1
SCHEMBL7415075 0.80 F2 (0.74) F2F10PRSS1PRSS2PRSS3
SCHEMBL6779723 0.80 HDAC6 (0.49) F2F10PRSS1PRSS2PRSS3
SCHEMBL4442315 0.80 F2 (0.59) F2F10PRSS1PRSS2PRSS3
SCHEMBL4442309 0.80 F2 (0.59) F2F10PRSS1PRSS2PRSS3
SCHEMBL7415541 0.79 F2 (0.48) F2F10PRSS1PRSS2PRSS3

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
EP-1095025-B1 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2002-12-11 EP disclosed
US-6248770-B1 CARDIOVASCULAR DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-06-19 US disclosed