SCHEMBL31728443

SCHEMBL31728443

CC1CN(c2cc(Br)cnc2F)C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.35
▸ F2RL1 P55085 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ OPRK1 P41145 1/20 0.32
▸ HTR3A P46098 1/20 0.32
▸ CHRNB2 P17787 2/20 0.31
▸ CHRNB4 P30926 2/20 0.31
▸ CHRNA3 P32297 2/20 0.31
▸ CHRNA4 P43681 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.30
▸ LRRK2 Q5S007 1/20 0.30
▸ ACACB O00763 1/20 0.30

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
SCHEMBL31728099 0.81 HRH4 (0.32) HRH4
SCHEMBL31728444 0.80 OPRK1 (0.32) HRH4KDM4EHTTOPRK1CHRNB2
SCHEMBL31727525 0.79 HRH4 (0.34) HRH4OPRK1ACACB
SCHEMBL31728302 0.78 F2RL1 (0.38) HRH4F2RL1OPRK1CHRNB2CHRNB4
SCHEMBL31728274 0.77 CHRNB2 (0.37) HRH4F2RL1HTTOPRK1CHRNB2
SCHEMBL30811846 0.77 MAPT (0.37) HRH4HTTCHRNB2CHRNA4MAPT
SCHEMBL20354142 0.77 ACACB (0.46) HRH4OPRK1HTR3AACACB
SCHEMBL31727694 0.76 HRH4 (0.30) HRH4
SCHEMBL20008586 0.76 MAPK1 (0.39) HTTOPRK1CHRNB2CHRNA4MAPT
SCHEMBL31727780 0.75 F2RL1 (0.36) F2RL1

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
WO-2025231561-A1 TERTIARY AMINE-SUBSTITUTED BIPYRIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND THEIR USE AS PHARMACEUTICALS UNIVERSITE DE MONTREAL (CA) 2025-11-13 — — WO disclosed
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