SCHEMBL2028409

SCHEMBL2028409

O=C(Cc1ccccn1)Nc1ccccc1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.69
CA2 P00918 1/20 0.69
CA5A P35218 1/20 0.69
CA7 P43166 1/20 0.69
CA5B Q9Y2D0 1/20 0.69
MAPK1 P28482 1/20 0.66
NPC1 O15118 5/20 0.62
RAB9A P51151 5/20 0.62
SMN1; SMN2 Q16637 4/20 0.60
LMNA P02545 1/20 0.60
GAA P10253 1/20 0.60
HTR1A P08908 2/20 0.58
DRD2 P14416 2/20 0.58
EPHX2 P34913 1/20 0.58
TSHR P16473 1/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55

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
SCHEMBL10576461 0.94 CA1 (0.67) CA1CA2CA5ACA7CA5B
SCHEMBL18546011 0.90 CA1 (0.66) CA1CA2CA5ACA7CA5B
SCHEMBL6491441 0.87 CA1 (0.71) CA1CA2CA5ACA7CA5B
SCHEMBL6340653 0.87 CA1 (0.63) CA1CA2CA5ACA7CA5B
SCHEMBL3453018 0.87 CA1 (0.67) CA1CA2CA5ACA7CA5B
SCHEMBL29765433 0.86 CA1 (0.65) CA1CA2CA5ACA7CA5B
SCHEMBL259393 0.84 NPC1 (0.67) CA1CA2CA5ACA7CA5B
SCHEMBL16248330 0.84 HTR1A (0.63) CA1CA2CA5ACA7CA5B
SCHEMBL2134679 0.84 RAB9A (0.67) CA1CA2CA5ACA7CA5B
SCHEMBL7749816 0.83 CA1 (0.58) CA1CA2CA5ACA7CA5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3377061-A1 MIRABEGRON FOR THE TREATMENT OF RETINAL DISEASES Sorbonne Université (FR) 2018-09-26 EP disclosed
EP-2507212-B1 PROCESS FOR PREPARING METHYL PHENIDATE HYDROCHLORIDE HARMAN FINOCHEM LTD (IN) 2014-04-16 EP disclosed
EP-2507212-A1 PROCESS FOR PREPARING METHYL PHENIDATE HYDROCHLORIDE Harman Finochem Limited (IN) 2012-10-10 EP disclosed
WO-2011067783-A1 PROCESS FOR PREPARING METHYL PHENIDATE HYDROCHLORIDE HARMAN FINOCHEM LIMITED (IN) 2011-06-09 WO disclosed
EP-1224163-B1 USE OF CARBONYLAMINO DERIVATIVES AGAINST CNS DISORDERS HOFFMANN LA ROCHE (CH) 2005-03-30 EP disclosed
CN-1136193-C Imide derivatives or salts thereof ֮����ҩ��ʽ���� 2004-01-28 CN disclosed
US-6548522-B1 N-substituted 2,2-diphenylacetamide or N-substituted 2-phenyl-2-pyridinylacetamide HOFFMANN-LA ROCHE INC. 2003-04-15 US disclosed
EP-1224163-A1 USE OF CARBONYLAMINO DERIVATIVES AGAINST CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001027070-A1 USE OF CARBONYLAMINO DERIVATIVES AGAINST CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-19 WO disclosed
CN-1218045-A Imide derivatives or salts thereof YAMANOUCHI PHARMA CO LTD (JP) 1999-06-02 CN disclosed
US-4112100-A INCREASING THE ENDOGENOUS PRODUCTION OF PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-09-05 US disclosed
US-4088766-A PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-05-09 US disclosed
US-4008326-A INCREASING PRODUCTION OF PROSTAGLANDINS THE UPJOHN COMPANY (US) 1977-02-15 US disclosed
US-4001256-A PROSTAGLANDIN PRODUCTION IN MAMMALS THE UPJOHN COMPANY (US) 1977-01-04 US disclosed