SCHEMBL5799177

SCHEMBL5799177

Nc1nc(N2CCNCC2)c(-c2ccccn2)c(C(F)(F)F)n1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.49
▸ HTR7 P34969 2/20 0.46
▸ HRH4 Q9H3N8 11/20 0.45
▸ HTR1A P08908 1/20 0.43
▸ PLD1 Q13393 1/20 0.43
▸ HTR2C P28335 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ TYRO3 Q06418 1/20 0.41
▸ MERTK Q12866 1/20 0.41
▸ GAS6 Q14393 1/20 0.41
▸ ADRB1 P08588 1/20 0.40

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
SCHEMBL653399 0.72 HTR7 (0.44) HTR7HRH4HTR1APLD1HTR2C
SCHEMBL5317683 0.70 SCN9A (0.52) EPHX2HTR7HTR1APLD1HTR2C
SCHEMBL2754180 0.69 HRH4 (0.59) HRH4
SCHEMBL10095065 0.68 HTR7 (0.39) EPHX2HTR7HTR1APLD1HTR2C
SCHEMBL5799183 0.68 EPHX2 (0.61) EPHX2HRH4FLT3
SCHEMBL14060585 0.68 HTR7 (0.70) EPHX2HTR7HTR1APLD1HTR2C
SCHEMBL31106280 0.68 HTR7 (0.57) HTR7HRH4HTR1APLD1HTR2C
SCHEMBL20723340 0.68 HRH4 (0.52) HTR7HRH4HTR1A
SCHEMBL5317680 0.68 HTR7 (0.53) EPHX2HTR7HTR1APLD1HTR2C
SCHEMBL5800530 0.68 EPHX2 (0.50) EPHX2HTR7HTR1APLD1FLT3

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-1644358-A2 BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION (US) 2006-04-12 — — EP disclosed
WO-2005007648-A2 BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION (US) 2005-01-27 — — WO disclosed
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