SCHEMBL29636742

SCHEMBL29636742

CC(C)(N)CCNc1cc(-c2ccc(N3CCNCC3)cc2)nc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 11/20 0.50
SMARCA2 P51531 1/20 0.49
SLC2A1 P11166 2/20 0.47
AHR P35869 1/20 0.46

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
SCHEMBL23015126 1.00 ACP1 (0.50) ACP1SMARCA2SLC2A1AHR
SCHEMBL29636750 0.90 ACP1 (0.48) ACP1SMARCA2SLC2A1
SCHEMBL29636698 0.90 ACP1 (0.53) ACP1SMARCA2SLC2A1
SCHEMBL23029697 0.86 ACP1 (0.55) ACP1SMARCA2SLC2A1
SCHEMBL16098534 0.84 SLC2A1 (0.65) ACP1SMARCA2SLC2A1
SCHEMBL23029700 0.83 SLC2A1 (0.60) ACP1SLC2A1
Hydrochloric Acid SCHEMBL16102182 0.83 SLC2A1 (0.67) ACP1SMARCA2SLC2A1
Hydrochloric Acid SCHEMBL16097746 0.83 SLC2A1 (0.67) ACP1SMARCA2SLC2A1
Hydrochloric Acid SCHEMBL29636760 0.83 SLC2A1 (0.59) ACP1SLC2A1
SCHEMBL23029676 0.82 ACP1 (0.51) ACP1SLC2A1

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-4017492-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS Biohaven Therapeutics Ltd. (US) 2022-06-29 EP claimed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed