SCHEMBL8828518

SCHEMBL8828518

CCCNc1ccnc(N2CCN(c3ccccc3O)CC2)c1C(=O)N(C)C

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ DRD2 P14416 1/20 0.38

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 SCHEMBL8828640 0.90 DRD2 (0.38) DRD2
Hydrochloric Acid SCHEMBL8828474 0.88 ALDH1A1 (0.43) GFER
SCHEMBL8828461 0.87 HTR1A (0.47) —
Hydrochloric Acid SCHEMBL8828597 0.87 MEN1 (0.40) DRD2
Hydrochloric Acid SCHEMBL8828497 0.87 HTR1A (0.46) —
Hydrochloric Acid SCHEMBL8828812 0.86 DRD2 (0.36) DRD2
Hydrochloric Acid SCHEMBL8828677 0.84 ADRA1D (0.41) —
SCHEMBL8828595 0.84 DRD2 (0.40) DRD2
SCHEMBL8828730 0.84 DRD2 (0.45) GAASMN1; SMN2DRD2
SCHEMBL8828704 0.84 GAA (0.39) GAA

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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