SCHEMBL4859252

SCHEMBL4859252

O=C(CCCCNCCc1ccccc1)c1cc2c3c(c1)CCN3C(=O)CC2

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.57
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
HTR6 P50406 1/20 0.43
KCNH2 Q12809 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
SCHEMBL13987276 0.99 ACHE (0.56) ACHEHTR1ADRD2DRD1HTR2A
Hydrochloric Acid SCHEMBL4861752 0.99 ACHE (0.56) ACHEHTR1ADRD2DRD1HTR2A
Hydrochloric Acid SCHEMBL4853314 0.98 ACHE (0.55) ACHEHTR1ADRD2DRD1HTR2A
SCHEMBL13987644 0.97 ACHE (0.58) ACHE
Hydrochloric Acid SCHEMBL4860641 0.96 ACHE (0.57) ACHE
SCHEMBL13987304 0.96 ACHE (0.57) ACHEHTR1ADRD2DRD1HTR2A
SCHEMBL13987306 0.95 ACHE (0.56) ACHEHTR1ADRD2DRD1HTR2A
Hydrochloric Acid SCHEMBL4860992 0.95 ACHE (0.56) ACHEHTR1ADRD2DRD1HTR2A
SCHEMBL13987323 0.94 ACHE (0.58) ACHE
Hydrochloric Acid SCHEMBL4859759 0.94 ACHE (0.55) ACHEHTR1ADRD2DRD1HTR2A

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 3 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 claimed
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