SCHEMBL29636705

SCHEMBL29636705

COc1ccc(-c2cc(NCCCN3CCN(CCCN)CC3)c3ccccc3n2)cc1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 18/20 0.82

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
SCHEMBL23015139 1.00 ACP1 (0.82) ACP1
Hydrochloric Acid SCHEMBL23015105 0.99 ACP1 (0.81) ACP1
SCHEMBL23015125 0.92 ACP1 (0.85) ACP1
SCHEMBL17688793 0.90 ACP1 (1.00) ACP1
SCHEMBL29923649 0.90 ACP1 (1.00) ACP1
SCHEMBL23015135 0.89 ACP1 (0.73) ACP1
SCHEMBL29636689 0.89 ACP1 (0.73) ACP1
SCHEMBL23015113 0.89 ACP1 (0.86) ACP1
SCHEMBL29636769 0.89 ACP1 (0.86) ACP1
SCHEMBL23029729 0.89 ACP1 (0.82) ACP1

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