SCHEMBL8828461

SCHEMBL8828461

CCCNc1ccnc(N2CCN(c3ccccc3OC)CC2)c1C(=O)N(C)C

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.47
▸ ADRA1A P35348 2/20 0.47
▸ MAPT P10636 1/20 0.46

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 SCHEMBL8828497 0.99 HTR1A (0.46) HTR1AADRA1AMAPT
Hydrochloric Acid SCHEMBL8828679 0.91 HTR1A (0.46) HTR1AADRA1AMAPT
Hydrochloric Acid SCHEMBL8828677 0.89 ADRA1D (0.41) ADRA1A
SCHEMBL8828704 0.88 GAA (0.39) —
Hydrochloric Acid SCHEMBL8828569 0.88 GPR6 (0.39) —
Hydrochloric Acid SCHEMBL8828629 0.88 HTR1A (0.40) HTR1A
SCHEMBL8828518 0.87 GAA (0.41) —
Hydrochloric Acid SCHEMBL8828640 0.87 DRD2 (0.38) —
Hydrochloric Acid SCHEMBL8828746 0.87 NTSR1 (0.39) —
Hydrochloric Acid SCHEMBL8828707 0.87 — —

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5688795-A URINARY TRACTS OBSTRUCTION SYNTEX (U.S.A.) INC. (US) 1997-11-18 — — US disclosed
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