SCHEMBL8946752

SCHEMBL8946752

COc1ccccc1-c1nc(-c2ccccc2)ncc1NC(=O)Nc1c(C(C)C)cccc1C(C)C

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 8/20 0.59
NTRK1 P04629 4/20 0.43
ADORA3 P0DMS8 2/20 0.43
PDE4B Q07343 1/20 0.42
ADORA2A P29274 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
NTRK3 Q16288 1/20 0.40
DPP4 P27487 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
SCHEMBL8946455 0.88 NTRK1 (0.56) LPAR1NTRK1LMNAKMT2ANTRK3
SCHEMBL8946564 0.87 NTRK1 (0.48) LPAR1NTRK1LMNAKMT2ANTRK3
SCHEMBL8946624 0.86 NTRK1 (0.43) LPAR1NTRK1ADORA3ADORA2ALMNA
SCHEMBL8946618 0.86 L3MBTL1 (0.51) LPAR1NTRK1LMNAKMT2ANTRK3
SCHEMBL8946473 0.86 NTRK1 (0.45) LPAR1NTRK1LMNAKMT2ANTRK3
SCHEMBL8946757 0.84 NTRK1 (0.48) LPAR1NTRK1LMNAKMT2ANTRK3
SCHEMBL8946460 0.83 NTRK1 (0.43) LPAR1NTRK1PDE4BLMNAKMT2A
SCHEMBL8946725 0.82 NTRK1 (0.50) LPAR1NTRK1LMNAKMT2ANTRK3
SCHEMBL8946762 0.82 NTRK1 (0.45) LPAR1NTRK1LMNAKMT2ANTRK3
SCHEMBL8946571 0.81 LPAR1 (0.50) LPAR1NTRK1LMNAKMT2ANTRK3

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-5500424-A ENZYME INHIBITORS NIHON NOHYAKU CO., LTD. (JP) 1996-03-19 US disclosed
EP-0638557-A1 N-phenylpyri(mi)dine-N'-phenyl-urea derivatives, their preparation and their use as ACAT inhibitors NIHON NOHYAKU CO., LTD. (JP) 1995-02-15 EP disclosed