SCHEMBL7412693

SCHEMBL7412693

CCOC(=O)N(C(=O)NC)C(C)(C(=O)N1CCCC1)c1ccc2c(c1)nc(CNc1ccc(C#N)cc1)n2C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.48
F10 P00742 3/20 0.48
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
HDAC6 Q9UBN7 3/20 0.38
KMT2A Q03164 5/20 0.37
MEN1 O00255 3/20 0.37
NQO2 P16083 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
GLA P06280 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.35
PLG P00747 1/20 0.34

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
SCHEMBL4451686 0.90 F2 (0.51) F2F10NPC1RAB9APRSS1
SCHEMBL7412684 0.84 F2 (0.35) F2F10LMNASMN1; SMN2KDM4E
SCHEMBL7415304 0.82 F2 (0.59) F2F10NPC1RAB9APRSS1
SCHEMBL4451687 0.81 F2 (0.64) F2F10NPC1RAB9APRSS1
SCHEMBL4451691 0.81 F2 (0.64) F2F10NPC1RAB9APRSS1
SCHEMBL7414753 0.81 F2 (0.49) F2F10NPC1RAB9APRSS1
SCHEMBL7096732 0.81 F2 (0.52) F2F10NPC1RAB9APRSS1
SCHEMBL7414751 0.81 F2 (0.48) F2F10NPC1RAB9APRSS1
SCHEMBL4442315 0.81 F2 (0.59) F2F10NPC1RAB9APRSS1
SCHEMBL4442309 0.81 F2 (0.59) F2F10NPC1RAB9APRSS1

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
US-6248770-B1 CARDIOVASCULAR DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-06-19 US disclosed