SCHEMBL30967608

SCHEMBL30967608

Cc1nc(-c2cccc(C(=O)NCCN3CCn4c(cc5c(OCCCF)nccc54)C3=O)c2)no1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 6/20 0.46
▸ KIFC1 Q9BW19 9/20 0.41
▸ DRD2 P14416 4/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ AURKA O14965 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ CACNA2D1 P54289 1/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SMYD2 Q9NRG4 1/20 0.34
▸ GSK3B P49841 1/20 0.34

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
SCHEMBL30967687 0.93 KIFC1 (0.47) DRD3KIFC1DRD2HTR2AAURKA
SCHEMBL30967456 0.90 DRD3 (0.44) DRD3KIFC1DRD2HTR2AKCNH2
SCHEMBL30967460 0.90 DRD3 (0.44) DRD3KIFC1DRD2HTR2AAURKA
SCHEMBL30967629 0.90 DRD3 (0.44) DRD3KIFC1DRD2HTR2AKCNH2
SCHEMBL30967545 0.86 DRD3 (0.46) DRD3KIFC1DRD2HTR2AKCNH2
SCHEMBL30967560 0.85 SCARB1 (0.34) DRD3CACNA2D1HTR1DSLC6A4
SCHEMBL30967475 0.81 DRD3 (0.39) DRD3KIFC1DRD2HTR2AKCNH2
SCHEMBL30967571 0.80 KIFC1 (0.41) DRD3KIFC1
SCHEMBL30967584 0.78 SCARB1 (0.35) DRD3KIFC1CACNA2D1HTR1DSLC6A4
SCHEMBL30967528 0.78 KIFC1 (0.39) DRD3KIFC1KCNH2

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-4615838-A1 SUBSTITUTED BI-AND TRICYCLIC HSET INHIBITORS Merck Patent GmbH (DE) 2025-09-17 — — EP disclosed
WO-2024099898-A1 SUBSTITUTED BI-AND TRICYCLIC HSET INHIBITORS MERCK PATENT GMBH (DE) 2024-05-16 — — WO disclosed
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