SCHEMBL14102016

SCHEMBL14102016

Clc1ccc2c(c1)CCc1cccnc1C2CCNCCCc1c[nH]cn1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
FNTA P49354 11/20 0.43
FNTB P49356 11/20 0.43

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
SCHEMBL14102082 0.97 MEN1 (0.46) MEN1KMT2AATMFNTAFNTB
SCHEMBL14101996 0.96 MEN1 (0.45) MEN1KMT2AATMFNTAFNTB
SCHEMBL14102078 0.86 MEN1 (0.46) MEN1KMT2AATMFNTAFNTB
SCHEMBL14102194 0.85 MEN1 (0.44) MEN1KMT2AATMFNTAFNTB
SCHEMBL14102073 0.85 MEN1 (0.44) MEN1KMT2AATMFNTAFNTB
SCHEMBL14101997 0.85 MEN1 (0.50) MEN1KMT2AATMFNTAFNTB
SCHEMBL14102087 0.85 MEN1 (0.49) MEN1KMT2AATMFNTAFNTB
SCHEMBL14102196 0.85 MEN1 (0.53) MEN1KMT2AATMFNTAFNTB
SCHEMBL14102242 0.85 MEN1 (0.49) MEN1KMT2AATMFNTAFNTB
SCHEMBL14102245 0.83 MEN1 (0.46) MEN1KMT2AATMFNTAFNTB

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-1318993-B1 SUBSTITUTED IMIDAZOLES AS DUAL HISTAMINE H1 AND H3 AGONISTS OR ANTAGONISTS SCHERING CORP (US) 2008-08-20 EP disclosed