SCHEMBL4839403

SCHEMBL4839403

NCC1CCCN1Cc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 8/20 0.52
SPHK1 Q9NYA1 8/20 0.52
CCR2 P41597 4/20 0.48
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
TRPV6 Q9H1D0 1/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC1 Q13547 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL4839388 1.00 SPHK2 (0.52) SPHK2SPHK1CCR2ALDH1A1KDM4E
SCHEMBL4848314 1.00 SPHK2 (0.52) SPHK2SPHK1CCR2ALDH1A1KDM4E
SCHEMBL24108929 0.85 HDAC8 (0.44) SPHK2SPHK1ALDH1A1KDM4EHDAC8
SCHEMBL10355476 0.85 SPHK1 (0.53) SPHK2SPHK1ALDH1A1
SCHEMBL9131967 0.85 SPHK1 (0.53) SPHK2SPHK1ALDH1A1
SCHEMBL9134554 0.85 SPHK1 (0.53) SPHK2SPHK1ALDH1A1
SCHEMBL4725155 0.85 SPHK2 (0.51) SPHK2SPHK1
SCHEMBL2446144 0.85 SPHK2 (0.51) SPHK2SPHK1
SCHEMBL9550064 0.85 SPHK2 (0.51) SPHK2SPHK1
SCHEMBL7829715 0.84 SIGMAR1 (0.53) SPHK2SPHK1

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 15 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
US-4189495-A TREATMENT OF NERVOUS AND PSYCHOSOMATIC DISORDERS SYNTHELABO (FR) 1980-02-19 US disclosed
US-4172143-A PSYCHOSOMATIC AND PSYCHOLOGICAL DISTURBANCES SYNTHELABO (FR) 1979-10-23 US disclosed
US-4158060-A PSYCHOLOGICAL DISORDERS SYNTHELABO (FR) 1979-06-12 US disclosed
US-4021567-A FOR PSYCHOSOMATIC AND PSYCHOTIC DISTURBANCES SYNTHELABO (FR) 1977-05-03 US disclosed