SCHEMBL13987281

SCHEMBL13987281

COc1ccc(CCNCCCCCC(=O)c2cc3c4c(c2)CCN4C(=O)CC3)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
ACHE P22303 2/20 0.44
CYP19A1 P11511 1/20 0.43
MAPT P10636 1/20 0.41
SMPD1 P17405 1/20 0.41

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 SCHEMBL4856428 0.99 CYP11B1 (0.44) CYP11B1CYP11B2ACHECYP19A1MAPT
SCHEMBL13987452 0.99 CYP11B1 (0.46) CYP11B1CYP11B2ACHECYP19A1MAPT
SCHEMBL13987279 0.90 ACHE (0.46) CYP11B1CYP11B2ACHECYP19A1
Hydrochloric Acid SCHEMBL4857042 0.90 ACHE (0.45) CYP11B1CYP11B2ACHECYP19A1
SCHEMBL13987244 0.89 ACHE (0.47) CYP11B1CYP11B2ACHECYP19A1
Hydrochloric Acid SCHEMBL4862600 0.89 ACHE (0.46) CYP11B1CYP11B2ACHECYP19A1
SCHEMBL13987246 0.88 POLB (0.50) ACHEMAPTSMPD1
SCHEMBL13987276 0.88 ACHE (0.56) ACHE
Hydrochloric Acid SCHEMBL4859507 0.88 POLB (0.49) ACHEMAPTSMPD1
Hydrochloric Acid SCHEMBL4853314 0.87 ACHE (0.55) 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