SCHEMBL6003618

SCHEMBL6003618

CCOC(=O)c1ccc2[nH]c3c(c2c1)CCN[C@@]31CCN(CCOc2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
CFTR P13569 14/20 0.49
KDM4E B2RXH2 3/20 0.46
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
POLB P06746 1/20 0.46
PLK4 O00444 1/20 0.45
DAPK3 O43293 1/20 0.45
DYRK3 O43781 1/20 0.45
JAK2 O60674 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
PIM1 P11309 1/20 0.45
RPS6KB1 P23443 1/20 0.45
CDK2 P24941 1/20 0.45
KDR P35968 1/20 0.45
MAPK8 P45983 1/20 0.45
CLK2 P49760 1/20 0.45

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
SCHEMBL5635474 1.00 KMT2A (0.52) KMT2ACFTRKDM4EMAPK1ALDH1A1
SCHEMBL5635694 0.92 CFTR (0.53) KMT2ACFTR
SCHEMBL6003573 0.92 CFTR (0.53) KMT2ACFTR
SCHEMBL6003860 0.90 CFTR (0.52) KMT2ACFTR
SCHEMBL5634673 0.90 CFTR (0.52) KMT2ACFTR
SCHEMBL6003560 0.90 CFTR (0.51) KMT2ACFTR
SCHEMBL5635489 0.90 CFTR (0.51) KMT2ACFTR
SCHEMBL5634484 0.89 CFTR (0.50) KMT2ACFTR
SCHEMBL6003576 0.89 CFTR (0.50) KMT2ACFTR
SCHEMBL5634918 0.88 CFTR (0.50) KMT2ACFTR

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-2006122931-A1 BETA-CARBOLINE DERIVATIVES AND THERI USE AS GHSR MODULATORS BIOVITRUM AB (PUBL) (SE) 2006-11-23 WO claimed