SCHEMBL9533427

SCHEMBL9533427

CSC(=NC#N)NCC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.33
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
IDO1 P14902 1/20 0.30

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
SCHEMBL3760053 0.78
SCHEMBL3760051 0.78
SCHEMBL9194509 0.76
SCHEMBL19287284 0.74 MCL1 (0.38) ALDH1A1KDM4EIDO1
SCHEMBL10718865 0.74 ALDH1A1 (0.37) ALDH1A1KDM4EIDO1
SCHEMBL11304952 0.74 ALDH1A1 (0.37) ALDH1A1KDM4EIDO1
SCHEMBL11067258 0.73 ALDH1A1 (0.36) ALDH1A1KDM4EIDO1
SCHEMBL11067256 0.73 ALDH1A1 (0.36) ALDH1A1KDM4EIDO1
SCHEMBL11100227 0.73 ALDH1A1 (0.36) ALDH1A1KDM4EIDO1
SCHEMBL11219200 0.73 ALDH1A1 (0.36) ALDH1A1KDM4EIDO1

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
EP-0377528-B1 Piperidines, process for their preparation and pharmaceutical compounds containing them LIPHA (FR) 1993-12-08 EP disclosed
US-5001134-A Piperidines, processes of preparation and medications containing them LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1991-03-19 US disclosed
EP-0377528-A1 Piperidines, process for their preparation and pharmaceutical compounds containing them LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1990-07-11 EP disclosed
US-4440775-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-04-03 US disclosed
US-4347250-A ANTIHISTAMINES; ANTISECRETORY, CARDIOTONIC, AND ANTI-INFLAMMATORY AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1982-08-31 US disclosed
US-4333946-A ANTIINFLAMMATORY AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1982-06-08 US disclosed
US-4276301-A HISTAMINE ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-06-30 US disclosed
US-4247558-A HISTAMINE ANTAGONIST SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-01-27 US disclosed
US-4192879-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-03-11 US disclosed
US-4166856-A Thiazole and isothiazole derivative as blockers of histamine H2 -receptors SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-09-04 US disclosed
US-4098898-A N-SUBSTITUTED-N'-HETEROCYCLIC ALKYLTHIOUREAS, GUANIDINES, AND ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-07-04 US disclosed