SCHEMBL4847846

SCHEMBL4847846

NCC1CCN(Cc2ccc(Cl)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
TP53 P04637 1/20 0.52
GAA P10253 1/20 0.51
CXCR4 P61073 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
BCHE P06276 2/20 0.50
ACHE P22303 2/20 0.50
BACE1 P56817 2/20 0.50
CCR5 P51681 1/20 0.49
KDM4E B2RXH2 1/20 0.49
SIGMAR1 Q99720 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL4854395 0.90 GAA (0.59) ALDH1A1TP53GAAMEN1KMT2A
SCHEMBL4848099 0.90 ALDH1A1 (0.64) ALDH1A1CXCR4MEN1KMT2ABCHE
Hydrochloric Acid SCHEMBL29525233 0.88 ALDH1A1 (0.62) ALDH1A1CXCR4MEN1KMT2ABCHE
SCHEMBL25404886 0.85 TP53 (0.54) ALDH1A1TP53CXCR4MEN1KMT2A
SCHEMBL25403170 0.85 TP53 (0.54) ALDH1A1TP53CXCR4MEN1KMT2A
SCHEMBL3074896 0.85 CCR3 (0.62) ALDH1A1GAACXCR4BCHEACHE
SCHEMBL1180490 0.85 CCR3 (0.62) ALDH1A1GAACXCR4BCHEACHE
SCHEMBL242758 0.85 CCR3 (0.62) ALDH1A1GAACXCR4BCHEACHE
SCHEMBL7827240 0.84 SMN1; SMN2 (0.54) ALDH1A1CXCR4MEN1KMT2AKDM4E
SCHEMBL7826768 0.84 SMN1; SMN2 (0.54) ALDH1A1CXCR4MEN1KMT2AKDM4E

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-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
CN-1384743-A Remedies or preventives for diseases in association with chemokines TEIJIN LTD (JP) 2002-12-11 CN 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