SCHEMBL6003860

SCHEMBL6003860

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

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CFTR P13569 19/20 0.52
KMT2A Q03164 1/20 0.47

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
SCHEMBL5634673 1.00 CFTR (0.52) CFTRKMT2A
Trifluoroacetic Acid SCHEMBL5636030 0.95 CFTR (0.48) CFTRKMT2A
SCHEMBL5635489 0.93 CFTR (0.51) CFTRKMT2A
SCHEMBL6003560 0.93 CFTR (0.51) CFTRKMT2A
SCHEMBL5635694 0.92 CFTR (0.53) CFTRKMT2A
SCHEMBL6003573 0.92 CFTR (0.53) CFTRKMT2A
SCHEMBL6003576 0.92 CFTR (0.50) CFTRKMT2A
SCHEMBL5634484 0.92 CFTR (0.50) CFTRKMT2A
SCHEMBL5634918 0.91 CFTR (0.50) CFTRKMT2A
SCHEMBL5635474 0.90 KMT2A (0.52) CFTRKMT2A

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