SCHEMBL13987338

SCHEMBL13987338

COc1ccccc1CCNCCCCCC(=O)c1cc2c3c(c1)CCC(=O)N3CCC2

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
NPC1 O15118 1/20 0.45
TTR P02766 1/20 0.45
SLC2A1 P11166 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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 SCHEMBL4858332 0.99 ACHE (0.46) ACHENPC1TTRSLC2A1TDP1
SCHEMBL13987324 0.99 ACHE (0.47) ACHENPC1TTRSLC2A1TDP1
SCHEMBL6035145 0.96 NPC1 (0.50) ACHENPC1TTRSLC2A1
Hydrochloric Acid SCHEMBL4862243 0.95 NPC1 (0.49) ACHENPC1TTRSLC2A1
SCHEMBL6034204 0.95 NPC1 (0.51) ACHENPC1TTRSLC2A1
SCHEMBL13987277 0.95 TDP1 (0.48) ACHETDP1
Hydrochloric Acid SCHEMBL4858522 0.94 NPC1 (0.50) ACHENPC1TTRSLC2A1
Hydrochloric Acid SCHEMBL4861561 0.94 TDP1 (0.47) ACHETDP1
SCHEMBL13987242 0.94 TDP1 (0.49) ACHETDP1
Hydrochloric Acid SCHEMBL4858964 0.93 TDP1 (0.48) ACHETDP1

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