SCHEMBL5799103

SCHEMBL5799103

COc1ccc2nc(NC3CCC(N)C3)cc(C)c2c1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.62
MAPK6 Q16659 1/20 0.48
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL5433478 1.00 MCHR1 (0.62) MCHR1MAPK6KDM4ELMNASMN1; SMN2
SCHEMBL5943481 0.94 MCHR1 (0.62) MCHR1KDM4ELMNASMN1; SMN2
SCHEMBL5433454 0.91 MCHR1 (0.60) MCHR1
SCHEMBL5440300 0.85 MCHR1 (0.64) MCHR1KDM4ELMNASMN1; SMN2
SCHEMBL5434552 0.84 MCHR1 (0.62) MCHR1
SCHEMBL5442154 0.83 KDM4E (0.47) MCHR1MAPK6KDM4ELMNASMN1; SMN2
SCHEMBL2537498 0.79 CHEK2 (0.56) MCHR1KDM4ELMNASMN1; SMN2
SCHEMBL2537496 0.79 CHEK2 (0.56) MCHR1KDM4ELMNASMN1; SMN2
SCHEMBL12247545 0.78 MCHR1 (0.53) MCHR1KDM4ELMNASMN1; SMN2
SCHEMBL5438260 0.78 MCHR1 (0.70) MCHR1

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-1706384-A1 THERAPEUTIC AGENTS I AstraZeneca AB (SE) 2006-10-04 EP disclosed
WO-2005066132-A1 THERAPEUTIC AGENTS I ASTRAZENECA AB (SE) 2005-07-21 WO disclosed