SCHEMBL6585925

SCHEMBL6585925

Cc1ccc(OCCCN2CCN(Cc3nc4ccccc4n3C)CC2)c2c1NC(=O)C2(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 13/20 0.45
KDM4E B2RXH2 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
LMNA P02545 3/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
DRD4 P21917 9/20 0.43
DRD2 P14416 4/20 0.43
DRD3 P35462 3/20 0.43
MAPT P10636 1/20 0.43
GFER P55789 1/20 0.43
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL8152411 0.89 LMNA (0.45) GRM2KDM4ELMNAALDH1A1POLB
SCHEMBL6585504 0.87 POLB (0.35) GRM2KDM4EOPRM1OPRD1LMNA
SCHEMBL6585292 0.84 HTR1A (0.42) DRD4DRD2MAPT
SCHEMBL6584451 0.83 HTR1A (0.37) DRD2DRD3MAPT
SCHEMBL6584265 0.82 HTR1A (0.40) DRD2MAPT
SCHEMBL6585830 0.82 HTR1A (0.42) DRD2MAPT
SCHEMBL6584859 0.81 HTR1A (0.41) DRD2MAPT
SCHEMBL8152413 0.80 HTR1A (0.33) KDM4EALDH1A1DRD2DRD3
SCHEMBL6584452 0.80 MEN1 (0.46) DRD2DRD3MAPT
SCHEMBL8309662 0.80 HTR1A (0.40) DRD2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0957100-B1 DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME KOWA CO (JP) 2004-10-27 EP disclosed
EP-0957100-A1 DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME Kowa Co., Ltd. (JP) 1999-11-17 EP disclosed