SCHEMBL6198280

SCHEMBL6198280

O=C(NCCN1CCC(Cc2ccccc2)CC1)Nc1ccnc(N2CCCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 11/20 0.61
HTR2A P28223 2/20 0.55
MEN1 O00255 2/20 0.53
POLB P06746 2/20 0.53
KMT2A Q03164 2/20 0.53
SLC6A2 P23975 3/20 0.52
SLC6A3 Q01959 1/20 0.52
SLC6A4 P31645 2/20 0.50

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
SCHEMBL3557972 0.86 CCR3 (0.65) CCR3HTR2AMEN1POLBKMT2A
SCHEMBL4861307 0.84 CCR3 (0.62) CCR3HTR2AMEN1POLBKMT2A
SCHEMBL6198672 0.83 CCR3 (0.62) CCR3HTR2AMEN1POLBKMT2A
SCHEMBL4862935 0.81 CCR3 (0.59) CCR3HTR2AMEN1POLBKMT2A
SCHEMBL6195675 0.81 CCR3 (0.60) CCR3HTR2AMEN1POLBKMT2A
SCHEMBL6195682 0.80 CCR3 (0.57) CCR3HTR2AMEN1POLBKMT2A
SCHEMBL6195652 0.79 CCR3 (0.56) CCR3HTR2AMEN1POLBKMT2A
SCHEMBL3557299 0.79 CCR3 (0.67) CCR3HTR2AMEN1POLBKMT2A
SCHEMBL27612470 0.77 CCR3 (0.56) CCR3HTR2AMEN1POLBKMT2A
SCHEMBL3568569 0.77 CCR3 (0.64) CCR3HTR2AMEN1POLBKMT2A

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
EP-1499607-B1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO)-QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2005-12-07 EP disclosed