SCHEMBL7465484

SCHEMBL7465484

CCCNCCCOc1cccc(CC)c1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.72
ALDH1A1 P00352 3/20 0.72
GAA P10253 1/20 0.66
POLB P06746 1/20 0.64
KMT2A Q03164 1/20 0.60
MAPK1 P28482 3/20 0.57
CYP2D6 P10635 3/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C19 P33261 1/20 0.57
DRD2 P14416 6/20 0.54
DRD4 P21917 6/20 0.54
DRD3 P35462 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CHRM2 P08172 1/20 0.48

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
SCHEMBL8696807 0.88 KMT2A (0.57) KDM4EALDH1A1GAAPOLBKMT2A
SCHEMBL11050996 0.83 KDM4E (0.60) KDM4EALDH1A1GAAPOLBMAPK1
SCHEMBL12177908 0.83 CYP1A2 (0.63) KDM4EALDH1A1GAAKMT2AMAPK1
SCHEMBL10650029 0.83 CYP2D6 (0.67) KDM4EALDH1A1GAAPOLBKMT2A
SCHEMBL17303741 0.82 KDM4E (0.60) KDM4EALDH1A1GAAPOLBKMT2A
SCHEMBL5251060 0.82 KDM4E (0.63) KDM4EALDH1A1GAAPOLBMAPK1
SCHEMBL59488 0.81 KDM4E (0.61) KDM4EALDH1A1GAAPOLBKMT2A
SCHEMBL15295402 0.81 ALDH1A1 (0.65) KDM4EALDH1A1GAAPOLBKMT2A
SCHEMBL10287572 0.81 ALDH1A1 (0.58) KDM4EALDH1A1GAAPOLBKMT2A
SCHEMBL8349049 0.80 TSHR (0.65) KDM4EALDH1A1POLBMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0650476-B1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMA CO LTD (JP) 2002-06-26 EP disclosed
US-6136826-A AMINOPIPERIDINE COMPOUNDS SUBSTITUTED WITH ALKANOYL OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
US-5656642-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed