SCHEMBL4452722

SCHEMBL4452722

CCN1CCN(Cc2ccc(C(N)=O)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.48
OPRM1 P35372 2/20 0.46
OPRK1 P41145 2/20 0.46
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
NNMT P40261 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
PARP1 P09874 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
OPRD1 P41143 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL4465211 0.89 HRH3 (0.48) HRH3OPRM1OPRK1PRMT5WDR77
SCHEMBL15251306 0.87 HRH3 (0.57) HRH3OPRM1OPRK1PRMT5WDR77
SCHEMBL25701780 0.83 HIF1A (0.47) HRH3PRMT5WDR77MEN1KMT2A
SCHEMBL27815604 0.83 HRH3 (0.61) HRH3OPRM1OPRK1PRMT5WDR77
SCHEMBL15251315 0.83 KDM5C (0.52) HRH3OPRM1OPRK1PRMT5WDR77
SCHEMBL2828056 0.80 OPRM1 (0.60) HRH3OPRM1OPRK1KMT2APARP1
SCHEMBL4465984 0.79 OPRM1 (0.41) HRH3OPRM1OPRK1PRMT5WDR77
SCHEMBL30647277 0.78 ADORA2A (0.52) OPRM1OPRK1KMT2AKDM4EMAPT
SCHEMBL2776747 0.77 ALDH1A1 (0.59) HRH3SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1126270 0.77 GAA (0.49) HRH3SMN1; SMN2MEN1KMT2AKDM4E

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
WO-2009141386-A1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-11-26 WO disclosed