SCHEMBL3232887

SCHEMBL3232887

[NH]NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 5/20 0.55
KIF11 P52732 1/20 0.44
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ALOX15 P16050 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
PTPN1 P18031 1/20 0.32

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
SCHEMBL21839329 0.75 KCNN4 (0.60) KCNN4KIF11ALDH1A1TSHRMAPK1
SCHEMBL2363005 0.75 KCNN4 (0.60) KCNN4KIF11ALDH1A1TSHRMAPK1
Ammonia Solution, Strong SCHEMBL28866362 0.73 KCNN4 (0.57) KCNN4KIF11ALDH1A1TSHRMAPK1
SCHEMBL9439632 0.71 KCNN4 (1.00) KCNN4KIF11ALDH1A1TSHRMAPK1
SCHEMBL7268815 0.71 KCNN4 (0.55) KCNN4KIF11ALDH1A1TSHRMAPK1
SCHEMBL3228004 0.71 KCNN4 (0.55) KCNN4KIF11ALDH1A1TSHRMAPK1
SCHEMBL9867906 0.71 KCNN4 (0.55) KCNN4KIF11ALDH1A1TSHRMAPK1
SCHEMBL11767238 0.71 KCNN4 (0.55) KCNN4KIF11ALDH1A1TSHRMAPK1
SCHEMBL316124 0.71 KCNN4 (0.55) KCNN4KIF11ALDH1A1TSHRMAPK1
SCHEMBL15782769 0.70 KCNN4 (0.48) KCNN4KIF11ALDH1A1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8287838-B2 Thermochemical hydrogen produced from a vanadium decomposition cycle AMENDOLA STEVEN (US) 2012-10-16 US disclosed
US-7799315-B2 Thermochemical hydrogen produced from a vanadium decomposition cycle AMENDOLA STEVEN 2010-09-21 US disclosed
US-20050013771-A1 Thermochemical hydrogen produced from a vanadium decomposition cycle AMENDOLA STEVEN (US) 2005-01-20 US disclosed
US-5508382-A SYNTHETIC CALCITONIN DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-16 US disclosed
EP-0452514-B1 PEPTIDE AND PROCESS FOR PREPARING CYCLIC PEPTIDE DAICEL CHEM (JP) 1995-07-05 EP disclosed
US-5428129-A Cyclization in presence of an alkali metal salt DAICEL CHEMICAL INDUSTRIES (JP) 1995-06-27 US disclosed
EP-0452514-A1 PEPTIDE AND PROCESS FOR PREPARING CYCLIC PEPTIDE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1991-10-23 EP disclosed
US-RE32534-E Peptides, process for preparing the same and psychodepressant compositions containing the same AMANO PHARMACEUTICAL CO., LTD. (JP) 1987-10-27 US disclosed
EP-0107860-B1 PEPTIDES, PROCESS FOR PREPARING THE SAME AND PSYCHODEPRESSANT COMPOSITIONS CONTAINING THE SAME AMANO PHARMACEUTICAL CO., LTD. (JP) 1986-09-17 EP disclosed
US-4517180-A SCHIZOPHRENIA AMANO PHARMACEUTICAL CO., LTD (JP) 1985-05-14 US disclosed
EP-0107860-A1 Peptides, process for preparing the same and psychodepressant compositions containing the same AMANO PHARMACEUTICAL CO., LTD. (JP) 1984-05-09 EP disclosed