SCHEMBL7513797

SCHEMBL7513797

COc1cccc(-c2cncc(-c3c(C(C)C4CCCNC4)[nH]c4ccc(Cl)cc34)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.37
DRD2 P14416 2/20 0.37
HTR7 P34969 2/20 0.37
CHEK1 O14757 3/20 0.36
EED O75530 1/20 0.34
HTR6 P50406 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
CYP2C19 P33261 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
SCHEMBL7502243 0.94 MAPK13 (0.38) CHRM4DRD2HTR7CHEK1EED
SCHEMBL7508487 0.94 MAPK13 (0.38) CHRM4DRD2HTR7CHEK1EED
SCHEMBL7509290 0.91 MAP2 (0.39) CHEK1HTR6MAPTCHRNB2CHRNA4
SCHEMBL7506691 0.90 CHRM4 (0.43) CHRM4DRD2HTR7CHEK1EED
SCHEMBL7504471 0.89 CHRNB2 (0.35) CHRM4DRD2HTR7CHEK1LMNA
SCHEMBL7511840 0.89 MAPK10 (0.40) CHEK1HTR6
SCHEMBL7506495 0.89 CHEK1 (0.41) CHRM4DRD2HTR7CHEK1EED
SCHEMBL7508685 0.88 CYP11B1 (0.40) CHRM4DRD2HTR7
SCHEMBL7511739 0.86 CHEK1 (0.36) CHRM4DRD2HTR7CHEK1EED
SCHEMBL7507840 0.85 KCNH2 (0.35) CHEK1CHRNB2CHRNA4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147107-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2002-05-22 EP disclosed
EP-1147107-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2001-10-24 EP disclosed
WO-2000043393-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-07-27 WO disclosed