SCHEMBL13987315

SCHEMBL13987315

COc1ccccc1CCN(C)CCCCCC(=O)c1cc2c3c(c1)CC(=O)N3CCC2

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
TTR P02766 1/20 0.48
ACHE P22303 5/20 0.46
SIGMAR1 Q99720 1/20 0.45
BCHE P06276 3/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
RAB9A P51151 1/20 0.43
RAD52 P43351 1/20 0.42

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
SCHEMBL13987309 0.99 NPC1 (0.49) NPC1TTRACHESIGMAR1BCHE
SCHEMBL13987341 0.96 ACHE (0.47) NPC1TTRACHESIGMAR1
SCHEMBL13987328 0.95 ACHE (0.47) NPC1TTRACHESIGMAR1
Hydrochloric Acid SCHEMBL4912555 0.94 ACHE (0.47) NPC1TTRACHESIGMAR1
SCHEMBL6035326 0.91 ACHE (0.49) NPC1TTRACHEBCHE
SCHEMBL13987287 0.90 TDP1 (0.47) ACHESIGMAR1BCHECHRM2CHRM1
SCHEMBL6034266 0.90 NPC1 (0.46) NPC1TTRACHEBCHERAB9A
Hydrochloric Acid SCHEMBL4858639 0.90 ACHE (0.48) NPC1TTRACHEBCHE
SCHEMBL6034769 0.90 ACHE (0.47) NPC1TTRACHEBCHERAB9A
SCHEMBL4860303 0.90 NPC1 (0.47) NPC1TTRACHERAB9A

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