SCHEMBL4903573

SCHEMBL4903573

CCCCCNCC1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 4/20 0.60
GNAI3 P08754 1/20 0.53
GNAO1 P09471 1/20 0.53
GNAI1 P63096 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CCR2 P41597 3/20 0.49
KCNH2 Q12809 1/20 0.47
CACNA1I Q9P0X4 1/20 0.47

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
SCHEMBL23807113 0.83 GNAI3 (0.50) CXCR4GNAI3GNAO1GNAI1SMN1; SMN2
SCHEMBL3774934 0.79 SMN1; SMN2 (0.52) CXCR4SMN1; SMN2ALDH1A1
SCHEMBL4846613 0.79 L3MBTL1 (0.76) CXCR4ALDH1A1L3MBTL1CCR2KCNH2
SCHEMBL21820699 0.77 ALDH1A1 (0.64) CXCR4ALDH1A1L3MBTL1
SCHEMBL4906473 0.76 BACE1 (0.61) CCR2
SCHEMBL4850211 0.76 CXCR4 (0.57) CXCR4ALDH1A1CCR2
SCHEMBL27558611 0.76 CCR2 (0.62) CXCR4CCR2KCNH2CACNA1I
SCHEMBL27558716 0.76 CXCR4 (0.56) CXCR4ALDH1A1L3MBTL1CCR2KCNH2
SCHEMBL22775689 0.75 CXCR4 (0.55) CXCR4ALDH1A1L3MBTL1CCR2KCNH2
SCHEMBL712406 0.75 SMN1; SMN2 (0.47) CXCR4SMN1; SMN2ALDH1A1L3MBTL1

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 8 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