SCHEMBL7418283

SCHEMBL7418283

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 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
HDAC6 Q9UBN7 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
GLA P06280 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ITK Q08881 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
POLB P06746 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
SCHEMBL4937057 0.91 F2 (0.49) F2F10PRSS1PRSS2PRSS3
SCHEMBL4937046 0.91 F2 (0.49) F2F10PRSS1PRSS2PRSS3
SCHEMBL7415541 0.88 F2 (0.48) F2F10PRSS1PRSS2PRSS3
SCHEMBL4442315 0.82 F2 (0.59) F2F10PRSS1PRSS2PRSS3
SCHEMBL4442309 0.82 F2 (0.59) F2F10PRSS1PRSS2PRSS3
SCHEMBL7418281 0.80 F2 (0.49) F2F10PRSS1PRSS2PRSS3
SCHEMBL7096709 0.80 F2 (0.58) F2F10PRSS1PRSS2PRSS3
SCHEMBL7415075 0.79 F2 (0.74) F2F10PRSS1PRSS2PRSS3
SCHEMBL6451164 0.78 NPC1 (0.41) F2F10PRSS1PRSS2PRSS3
SCHEMBL8109478 0.78 F2 (0.68) 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