SCHEMBL13987331

SCHEMBL13987331

CN(CCCCC(=O)c1cc2c3c(c1)CCC(=O)N3CCC2)CCc1ccccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.51
NPC1 O15118 1/20 0.47
TTR P02766 1/20 0.47

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
SCHEMBL13987344 0.99 ACHE (0.50) ACHENPC1TTR
Hydrochloric Acid SCHEMBL4860715 0.98 ACHE (0.49) ACHENPC1TTR
SCHEMBL13987311 0.95 NPC1 (0.53) ACHENPC1TTR
SCHEMBL13987316 0.94 NPC1 (0.53) ACHENPC1TTR
SCHEMBL13987255 0.94 ACHE (0.49) ACHE
Hydrochloric Acid SCHEMBL4852382 0.94 ACHE (0.49) ACHE
SCHEMBL13987290 0.94 ACHE (0.49) ACHE
Hydrochloric Acid SCHEMBL4860519 0.93 ACHE (0.48) ACHE
SCHEMBL4863009 0.89 ACHE (0.51) ACHENPC1TTR
SCHEMBL13987328 0.88 ACHE (0.47) ACHENPC1TTR

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
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed