SCHEMBL13987288

SCHEMBL13987288

COc1cccc(CCN(C)CCCCCC(=O)c2cc3c4c(c2)CCN4C(=O)CC3)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.47
BCHE P06276 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CYP11B1 P15538 3/20 0.46
CYP11B2 P19099 3/20 0.46
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
KCNH2 Q12809 1/20 0.44
CYP19A1 P11511 1/20 0.44
MAPT P10636 1/20 0.42
HCN4 Q9Y3Q4 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
Hydrochloric Acid SCHEMBL4860425 0.99 ACHE (0.46) ACHEBCHESIGMAR1CYP11B1CYP11B2
SCHEMBL13987254 0.99 ACHE (0.47) ACHEBCHESIGMAR1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL4857379 0.98 ACHE (0.47) ACHEBCHESIGMAR1CYP11B1CYP11B2
SCHEMBL4860509 0.91 ACHE (0.47) ACHEBCHECYP11B1CYP11B2CYP19A1
SCHEMBL4858814 0.90 ACHE (0.47) ACHECYP11B1CYP11B2CYP19A1
SCHEMBL13987286 0.88 ACHE (0.56) ACHESIGMAR1DRD2DRD3KCNH2
SCHEMBL13987291 0.88 HTR1A (0.49) ACHESIGMAR1CYP11B1CYP11B2DRD2
SCHEMBL13987297 0.88 ACHE (0.50) ACHESIGMAR1CYP11B1CYP11B2DRD2
Hydrochloric Acid SCHEMBL4862249 0.87 ACHE (0.55) ACHESIGMAR1DRD2DRD3KCNH2
SCHEMBL4855221 0.87 ACHE (0.44) ACHEBCHECYP11B1CYP11B2CYP19A1

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