SCHEMBL14829045

SCHEMBL14829045

CC1CN(c2nc3ncc(Cl)cc3nc2Cl)CCN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.42
PIK3CD O00329 2/20 0.39
TRPV1 Q8NER1 3/20 0.38
SMO Q99835 1/20 0.38
SLC6A7 Q99884 2/20 0.37
KIT P10721 4/20 0.36
AVPR1A P37288 1/20 0.36
RBP4 P02753 1/20 0.36
CHRM1 P11229 2/20 0.35
CHRM2 P08172 1/20 0.35
LIMK2 P53671 1/20 0.35

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
SCHEMBL14829354 0.87 HRH4 (0.39) HRH4PIK3CDTRPV1KITAVPR1A
SCHEMBL14829444 0.86 MAP4K4 (0.47) HRH4PIK3CDTRPV1SLC6A7KIT
SCHEMBL14829443 0.86 MAP4K4 (0.47) HRH4PIK3CDTRPV1SLC6A7KIT
SCHEMBL14828795 0.80 HRH4 (0.38) HRH4TRPV1
SCHEMBL14828773 0.79 HRH4 (0.43) HRH4
SCHEMBL14828755 0.77 HRH4 (0.74) HRH4
SCHEMBL14829442 0.77 HRH4 (0.47) HRH4
SCHEMBL14828834 0.76 HRH4 (0.39) HRH4
SCHEMBL14829324 0.76 HRH4 (0.44) HRH4
SCHEMBL14828974 0.76 HRH4 (0.43) HRH4

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-2760865-A2 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C Research Laboratories (KR) 2014-08-06 EP disclosed
WO-2013048214-A2 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C RESEARCH LABORATORIES (KR) 2013-04-04 WO disclosed