SCHEMBL6178924

SCHEMBL6178924

O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Oc2cccc3c2CCCC3=O)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
NPC1 O15118 5/20 0.46
GRM8 O00222 1/20 0.43
GRM7 Q14831 1/20 0.43
GRM4 Q14833 1/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PKM P14618 1/20 0.42
BRAF P15056 1/20 0.42
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
KCNE1 P15382 1/20 0.42
KCNQ1 P51787 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
HTR2C P28335 3/20 0.41
HTR2B P41595 3/20 0.41
HTR2A P28223 2/20 0.41

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
SCHEMBL6176251 0.94 NPC1 (0.47) RAB9ANPC1GRM8GRM7GRM4
SCHEMBL6178259 0.94 KCNQ3 (0.50) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL6181815 0.90 CDK8 (0.46) RAB9ANPC1GRM8GRM7GRM4
SCHEMBL6177903 0.88 KCNQ3 (0.52) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL6176810 0.87 NPC1 (0.43) RAB9ANPC1BRAFKCNQ3KCNQ2
Hydrochloric Acid SCHEMBL6179651 0.87 KCNQ3 (0.51) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL6180980 0.81 NPC1 (0.45) RAB9ANPC1KCNQ3KCNQ2KCNE1
SCHEMBL6180231 0.81 KCNQ3 (0.53) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL6178792 0.81 KCNQ3 (0.49) RAB9ANPC1GRM8GRM7GRM4
SCHEMBL6180247 0.79 KCNQ3 (0.53) RAB9ANPC1MAPTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066261-B1 PYRIDINE DERIVATIVE AND PHARMACEUTICAL CONTAINING THE SAME OTSUKA PHARMA CO LTD (JP) 2005-11-23 EP disclosed
US-6511995-B1 Inhibits collagen synthesis, which is useful for prophylaxis or treatment of fibrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-01-28 US disclosed
EP-1066261-A1 PYRIDINE DERIVATIVE AND PHARMACEUTICAL CONTAINING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-01-10 EP disclosed
WO-1999048871-A1 PYRIDINE DERIVATIVE AND PHARMACEUTICAL CONTAINING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-09-30 WO disclosed