SCHEMBL3661871

SCHEMBL3661871

CC(N)CN1CCCCC1C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.44
CXCR4 P61073 6/20 0.41
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.38
CHRM2 P08172 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL18212440 0.94 LMNA (0.42) ALDH1A1LMNA
Hydrochloric Acid SCHEMBL18205186 0.92 LMNA (0.41) ALDH1A1LMNACXCR4MEN1KMT2A
Hydrochloric Acid SCHEMBL18205189 0.92 LMNA (0.41) ALDH1A1LMNACXCR4MEN1KMT2A
Hydrochloric Acid SCHEMBL28658608 0.92 LMNA (0.41) ALDH1A1LMNACXCR4MEN1KMT2A
SCHEMBL23374635 0.83 LMNA (0.46) ALDH1A1LMNACXCR4KDM4EMEN1
SCHEMBL4570867 0.83 LMNA (0.46) ALDH1A1LMNACXCR4KDM4EMEN1
SCHEMBL23374594 0.83 LMNA (0.46) ALDH1A1LMNACXCR4KDM4EMEN1
SCHEMBL9801414 0.80 LMNA (0.51) ALDH1A1LMNACXCR4KDM4EMEN1
SCHEMBL27209994 0.80 LMNA (0.51) ALDH1A1LMNACXCR4KDM4EMEN1
SCHEMBL23183278 0.78 LMNA (0.43) ALDH1A1LMNACXCR4KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238103-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-10-13 EP disclosed
WO-2009095324-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-06 WO disclosed
US-4992150-A Telomer with alpha-olefin;oil and fuel additive NIPPON OIL CO, LTD. (JP) 1991-02-12 US disclosed
EP-0076072-B1 SULPHONAMIDES BEECHAM - WUELFING GmbH & Co. KG (DE) 1987-05-13 EP disclosed
US-4485108-A ANTIARRHYTHMIA AGENTS BEECHAM WUELFING GMBH & CO., KG (DE) 1984-11-27 US disclosed
EP-0076072-A2 Sulphonamides BEECHAM - WUELFING GmbH & Co. KG (DE) 1983-04-06 EP disclosed