SCHEMBL4920134

SCHEMBL4920134

CN1CCCC(C(=O)N(F)n2ccc3cc(Cl)ccc32)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CCR4 P51679 3/20 0.37
GHSR Q92847 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
AHR P35869 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
RAB9A P51151 1/20 0.36
KDM2B Q8NHM5 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
SCHEMBL3837812 0.76 GHSR (0.44) HRH3CCR4GHSRRAB9A
Hydrochloric Acid SCHEMBL4496505 0.75 GHSR (0.43) L3MBTL1CCR4GHSRRAB9A
SCHEMBL27791500 0.65 GLA (0.48) HRH3L3MBTL1KMT2AAHR
SCHEMBL12023096 0.65 KDM2B (0.72) L3MBTL1KDM2B
SCHEMBL3844405 0.64 KDM2B (0.55) KDM4EKDM2B
SCHEMBL12225623 0.63 BCHE (0.56) KDM4EHTT
SCHEMBL10202194 0.63 BCHE (0.56) KDM4EHTT
SCHEMBL12225627 0.63 BCHE (0.56) KDM4EHTT
SCHEMBL6623547 0.63 SLC6A2 (0.51)
SCHEMBL3844134 0.62 ALDH1A1 (0.51) KDM4EKDM2B

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-1931341-A2 NOVEL 1H-INDOLE-PYRIDINECARBOXAMIDE DERIVATIVES AND 1H-INDOLE-PIPERIDINECARBOXAMIDE AND THEIR USE AS HYDROXALASE TYROSINE INDUCERS Les Laboratoires Servier (FR) 2008-06-18 EP disclosed
WO-2007006922-A2 NOVEL 1H-INDOLE-PYRIDINECARBOXAMIDE DERIVATIVES AND 1H-INDOLE-PIPERIDINECARBOXAMIDE AND THEIR USE AS HYDROXYLASE TYROSINE INDUCERS LES LABORATOIRES SERVIER (FR) 2007-01-18 WO disclosed