SCHEMBL4848461

SCHEMBL4848461

CC(N)C(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.65
ALDH1A1 P00352 1/20 0.65
CYP2C19 P33261 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
DRD4 P21917 3/20 0.61
KMT2A Q03164 2/20 0.61
DRD2 P14416 1/20 0.61
DRD3 P35462 1/20 0.61
POLB P06746 1/20 0.60
DPP7 Q9UHL4 1/20 0.60
KCNH2 Q12809 1/20 0.58
MEN1 O00255 1/20 0.58

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
SCHEMBL3306841 0.89 SIGMAR1 (0.68) SIGMAR1ALDH1A1CYP2C19SMN1; SMN2DRD4
SCHEMBL25541740 0.88 ALDH1A1 (0.53) SIGMAR1ALDH1A1CYP2C19SMN1; SMN2
SCHEMBL4846139 0.88 SIGMAR1 (0.60) SIGMAR1ALDH1A1CYP2C19SMN1; SMN2DRD4
SCHEMBL4846164 0.88 SIGMAR1 (0.60) SIGMAR1ALDH1A1CYP2C19SMN1; SMN2DRD4
SCHEMBL6207514 0.88 SIGMAR1 (0.60) SIGMAR1ALDH1A1CYP2C19SMN1; SMN2DRD4
SCHEMBL29712058 0.87 SIGMAR1 (0.65) SIGMAR1ALDH1A1CYP2C19SMN1; SMN2DRD4
SCHEMBL2317579 0.86 SIGMAR1 (0.64) SIGMAR1ALDH1A1DRD4KMT2ADRD2
SCHEMBL3960091 0.86 SIGMAR1 (0.64) SIGMAR1ALDH1A1DRD4KMT2ADRD2
Hydrochloric Acid SCHEMBL4198661 0.85 SIGMAR1 (0.62) SIGMAR1ALDH1A1DRD4KMT2ADRD2
Benzene SCHEMBL10799860 0.85 SIGMAR1 (0.62) SIGMAR1ALDH1A1CYP2C19SMN1; SMN2DRD4

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