SCHEMBL13987641

SCHEMBL13987641

O=C(CCCNCc1ccccc1)c1cc2c3c(c1)CCN3C(=O)CC2

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.59
MAPT P10636 1/20 0.44
NPC1 O15118 1/20 0.44
TTR P02766 1/20 0.44

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
Hydrochloric Acid SCHEMBL4860483 0.99 ACHE (0.58) ACHEMAPTNPC1TTR
SCHEMBL13987645 0.96 ACHE (0.57) ACHE
Hydrochloric Acid SCHEMBL4858362 0.96 ACHE (0.57) ACHEMAPT
Hydrochloric Acid SCHEMBL4861085 0.95 ACHE (0.56) ACHE
SCHEMBL13987644 0.91 ACHE (0.58) ACHENPC1TTR
Hydrochloric Acid SCHEMBL4860641 0.90 ACHE (0.57) ACHENPC1TTR
SCHEMBL13987304 0.88 ACHE (0.57) ACHE
SCHEMBL4859252 0.88 ACHE (0.57) ACHE
Hydrochloric Acid SCHEMBL4860992 0.87 ACHE (0.56) ACHE
SCHEMBL13987276 0.87 ACHE (0.56) ACHE

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