SCHEMBL4845501

SCHEMBL4845501

NC1CCCCN(Cc2ccc(Cl)cc2)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
KDM4E B2RXH2 1/20 0.61
GAA P10253 1/20 0.57
HRH3 Q9Y5N1 3/20 0.48
SIGMAR1 Q99720 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HRH4 Q9H3N8 1/20 0.44
LTA4H P09960 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL25373516 0.95 GAA (0.62) ALDH1A1KDM4EGAAHRH3SIGMAR1
SCHEMBL4848550 0.95 GAA (0.62) ALDH1A1KDM4EGAAHRH3SIGMAR1
Hydrochloric Acid SCHEMBL4846915 0.94 GAA (0.61) ALDH1A1KDM4EGAAHRH3SIGMAR1
SCHEMBL3810502 0.88 GAA (0.54) ALDH1A1KDM4EGAASIGMAR1BCHE
SCHEMBL3810424 0.88 GAA (0.54) ALDH1A1KDM4EGAASIGMAR1BCHE
SCHEMBL4427076 0.88 GAA (0.54) ALDH1A1KDM4EGAASIGMAR1BCHE
Hydrochloric Acid SCHEMBL4432892 0.87 GAA (0.52) ALDH1A1KDM4EGAASIGMAR1BCHE
Hydrochloric Acid SCHEMBL4427412 0.87 GAA (0.52) ALDH1A1KDM4EGAASIGMAR1BCHE
Hydrochloric Acid SCHEMBL4425500 0.87 GAA (0.52) ALDH1A1KDM4EGAASIGMAR1BCHE
SCHEMBL22254429 0.86 KDM1A (0.50) ALDH1A1HRH3SIGMAR1BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390830-B1 Remedies or prophylactics for diseases in association with chemokines TEIJIN LIMITED (JP) 2008-06-24 US disclosed
EP-1179341-B1 REMEDIES OR PREVENTIVES FOR DISEASES IN ASSOCIATION WITH CHEMOKINES TEIJIN LTD (JP) 2005-11-09 EP disclosed
EP-1553085-A1 Cyclic amine derivatives and their use as drugs TEIJIN LIMITED (JP) 2005-07-13 EP disclosed
EP-1535909-A2 Cyclic amine derivatives and their use as drugs TEIJIN LIMITED (JP) 2005-06-01 EP disclosed
US-6451842-B1 Cyclic amine derivatives and their use as drugs DUPONT PHARMACEUTICALS COMPANY 2002-09-17 US disclosed
US-6410566-B1 ATHEROSCLEROSIS; ANTIARTHRITIC AGENTS TEIJIN LIMITED (JP) 2002-06-25 US disclosed
US-6362177-B1 INHIBITION OF CHEMOKINE BINDING TEIJIN LIMITED (JP) 2002-03-26 US disclosed
EP-1179341-A1 REMEDIES OR PREVENTIVES FOR DISEASES IN ASSOCIATION WITH CHEMOKINES TEIJIN LIMITED (JP) 2002-02-13 EP disclosed
EP-1030840-A1 CYCLIC AMINE DERIVATIVES AND THEIR USE AS DRUGS TEIJIN LIMITED (JP) 2000-08-30 EP disclosed
WO-1999025686-A1 CYCLIC AMINE DERIVATIVES AND THEIR USE AS DRUGS TEIJIN LIMITED (JP) 1999-05-27 WO disclosed