SCHEMBL14102015

SCHEMBL14102015

Clc1ccc2c(c1)CCc1cccnc1C2NCCCCc1c[nH]cn1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 10/20 0.53
FNTB P49356 10/20 0.53
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL14102080 0.99 FNTA (0.52) FNTAFNTBMEN1KMT2AATM
SCHEMBL14102019 0.93 FNTA (0.55) FNTAFNTBMEN1KMT2AATM
SCHEMBL14290014 0.87 FNTA (0.57) FNTAFNTBMEN1KMT2AATM
SCHEMBL14102082 0.84 MEN1 (0.46) FNTAFNTBMEN1KMT2AATM
SCHEMBL14101996 0.84 MEN1 (0.45) FNTAFNTBMEN1KMT2AATM
SCHEMBL14102016 0.81 MEN1 (0.46) FNTAFNTBMEN1KMT2AATM
SCHEMBL14102078 0.81 MEN1 (0.46) FNTAFNTBMEN1KMT2AATM
SCHEMBL14102192 0.80 FNTA (0.45) FNTAFNTB
SCHEMBL14102242 0.79 MEN1 (0.49) FNTAFNTBMEN1KMT2AATM
SCHEMBL8259742 0.78 FNTA (0.63) FNTAFNTBMEN1KMT2AATM

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