SCHEMBL4850211

SCHEMBL4850211

Clc1ccc(CN2CCC(CNCCC(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.57
ALDH1A1 P00352 2/20 0.56
CCR2 P41597 3/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
BCHE P06276 2/20 0.51
ACHE P22303 2/20 0.51
FAAH O00519 1/20 0.51
BACE1 P56817 1/20 0.50
SLC6A4 P31645 2/20 0.49
SLC6A3 Q01959 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL4848632 0.88 CXCR4 (0.59) CXCR4ALDH1A1CCR2MEN1KMT2A
SCHEMBL1476523 0.77 SLC6A3 (0.65) CXCR4SLC6A4SLC6A3
SCHEMBL4903573 0.76 CXCR4 (0.60) CXCR4ALDH1A1CCR2
SCHEMBL8045592 0.74 CXCR4 (0.66) CXCR4ACHE
SCHEMBL3593316 0.74 CCR2 (0.67) CXCR4ALDH1A1CCR2BCHEACHE
SCHEMBL4846613 0.73 L3MBTL1 (0.76) CXCR4ALDH1A1CCR2MEN1KMT2A
SCHEMBL8707233 0.73 CXCR4 (1.00) CXCR4BCHEACHEBACE1
SCHEMBL5723679 0.73 CXCR4 (0.68) CXCR4ACHEBACE1
SCHEMBL27558716 0.73 CXCR4 (0.56) CXCR4ALDH1A1CCR2MEN1KMT2A
Hydrochloric Acid SCHEMBL3592266 0.73 CCR2 (0.65) CXCR4ALDH1A1CCR2BCHEACHE

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 9 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