SCHEMBL4844700

SCHEMBL4844700

NC(=O)C1CCCN1Cc1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.59
GAA P10253 1/20 0.58
SCN3A Q9NY46 1/20 0.57
MAOA P21397 3/20 0.56
MAOB P27338 3/20 0.56
NPBWR1 P48145 1/20 0.48
MCHR1 Q99705 1/20 0.48
POLB P06746 1/20 0.48
GRM2 Q14416 1/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
CCR2 P41597 3/20 0.46
GLA P06280 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL9151576 0.87 MAOB (0.64) SPHK1SCN3AMAOAMAOBPOLB
SCHEMBL9147565 0.87 MAOB (0.64) SPHK1SCN3AMAOAMAOBPOLB
SCHEMBL5154674 0.86 SPHK1 (0.71) SPHK1SCN3AMAOAMAOBMCHR1
SCHEMBL408685 0.86 SPHK1 (0.71) SPHK1SCN3AMAOAMAOBMCHR1
SCHEMBL408684 0.86 SPHK1 (0.71) SPHK1SCN3AMAOAMAOBMCHR1
SCHEMBL1817183 0.86 CYP1A2 (0.51) SPHK1GAANPBWR1MCHR1CNR1
SCHEMBL2032294 0.86 CYP1A2 (0.51) SPHK1GAANPBWR1MCHR1CNR1
SCHEMBL3148407 0.86 CYP1A2 (0.51) SPHK1GAANPBWR1MCHR1CNR1
Hydrochloric Acid SCHEMBL28533309 0.85 SPHK1 (0.70) SPHK1SCN3AMAOAMAOBMCHR1
Hydrochloric Acid SCHEMBL4368428 0.85 SPHK1 (0.70) SPHK1SCN3AMAOAMAOBMCHR1

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