SCHEMBL9533498

SCHEMBL9533498

CSC(=NC#N)N1CCCCC1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.81
KDM4E B2RXH2 1/20 0.81
MAPT P10636 5/20 0.55
HTT P42858 1/20 0.55
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
MAPK1 P28482 1/20 0.47
MGLL Q99685 2/20 0.31
PIN1 Q13526 1/20 0.31
PHGDH O43175 1/20 0.31
ALDH2 P05091 1/20 0.31
FBP1 P09467 1/20 0.31
CCR5 P51681 1/20 0.31

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
SCHEMBL725332 0.81 ALDH1A1 (0.75) ALDH1A1KDM4EMAPTHTTCYP1A2
SCHEMBL725331 0.81 ALDH1A1 (0.75) ALDH1A1KDM4EMAPTHTTCYP1A2
SCHEMBL3335215 0.79 ALDH1A1 (0.72) ALDH1A1KDM4EMAPTHTTCYP1A2
SCHEMBL3335212 0.79 ALDH1A1 (0.72) ALDH1A1KDM4EMAPTHTTCYP1A2
SCHEMBL23169396 0.78 ALDH1A1 (0.70) ALDH1A1KDM4EMAPTHTTCYP1A2
SCHEMBL22901815 0.78 ALDH1A1 (0.70) ALDH1A1KDM4EMAPTHTTCYP1A2
SCHEMBL16825840 0.75 ALDH1A1 (0.71) ALDH1A1KDM4EMAPTHTTCYP1A2
SCHEMBL16825841 0.75 ALDH1A1 (0.71) ALDH1A1KDM4EMAPTHTTCYP1A2
SCHEMBL25537950 0.74 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTHTTMEN1
SCHEMBL376626 0.72 MAPT (1.00) ALDH1A1KDM4EMAPTHTTCYP1A2

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 3 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