SCHEMBL15061389

SCHEMBL15061389

CCCN1CCN(c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cn2)CC1C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
KDM4E B2RXH2 2/20 0.44
HTR6 P50406 1/20 0.42
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
KCNH2 Q12809 2/20 0.42
GPR119 Q8TDV5 1/20 0.41
MLNR O43193 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TRIM24 O15164 1/20 0.39
BRD1 O95696 1/20 0.39
BRPF1 P55201 1/20 0.39
MAPT P10636 2/20 0.39
PANK3 Q9H999 4/20 0.39
ALOX12 P18054 1/20 0.38
POLB P06746 1/20 0.38
KDM2B Q8NHM5 1/20 0.38

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
SCHEMBL4688586 1.00 KMT2A (0.53) KMT2AGAAMEN1KDM4EHTR6
Hydrochloric Acid SCHEMBL4692989 0.99 KMT2A (0.52) KMT2AGAAMEN1KDM4EHTR6
SCHEMBL15061201 0.93 KMT2A (0.53) KMT2AGAAMEN1KDM4EHTR6
Hydrochloric Acid SCHEMBL4693057 0.92 KMT2A (0.52) KMT2AGAAMEN1KDM4EHTR6
SCHEMBL4797296 0.90 KMT2A (0.52) KMT2AGAAMEN1KDM4EHTR6
SCHEMBL4686111 0.90 KMT2A (0.52) KMT2AGAAMEN1KDM4EHTR6
SCHEMBL4690875 0.90 KMT2A (0.53) KMT2AGAAMEN1KDM4EKCNH2
SCHEMBL4690871 0.90 KMT2A (0.53) KMT2AGAAMEN1KDM4EKCNH2
SCHEMBL4690041 0.89 HTR6 (0.42) KMT2AKDM4EHTR6DRD2DRD3
SCHEMBL4690045 0.89 HTR6 (0.42) KMT2AKDM4EHTR6DRD2DRD3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476275-B2 N-[piperazinyl hetaryl]arylsufonamide compounds with affinity for the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2013-07-02 US claimed