SCHEMBL31336841

SCHEMBL31336841

Cc1cc(-c2ncccn2)c(C=O)nc1C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.35
CCR8 P51685 1/20 0.35
KCNJ1 P48048 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP2A6 P11509 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
SCHEMBL20135895 0.74 CCR1 (0.39) CCR1CCR8KCNJ1CYP1A2
SCHEMBL29912137 0.74 S100A4 (0.38) CCR1CCR8
SCHEMBL9955665 0.74 S100A4 (0.38) CCR1CCR8
SCHEMBL17408855 0.73 BCHE (0.37) KCNJ1CYP1A2CYP3A4CYP2C19
SCHEMBL31336808 0.73 CYP19A1 (0.35) CCR1CCR8CYP1A2CYP3A4CYP2C19
SCHEMBL31336815 0.73 NOS3 (0.41) CCR1CCR8CYP1A2CYP3A4CYP2C19
SCHEMBL31336616 0.71 TDP1 (0.38) CYP1A2CYP3A4
SCHEMBL20113952 0.70 CYP1A2 (0.39) KCNJ1CYP1A2CYP3A4CYP2C19
SCHEMBL31336812 0.68 ALOX15 (0.42)
SCHEMBL31336829 0.67 BRD4 (0.31)

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-4688154-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - Portela & Ca., S.A. (PT) 2026-02-11 EP disclosed
WO-2025023851-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO disclosed