SCHEMBL8828581

SCHEMBL8828581

CCCNc1cc(C)cc(C(=O)N(C)C)c1N1CCN(c2ccccc2N)CC1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADRA2C P18825 1/20 0.37
▸ DRD2 P14416 1/20 0.36

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
SCHEMBL8828736 0.88 TSHR (0.41) —
SCHEMBL8828588 0.88 ADRA2C (0.39) ADRA2CDRD2
Hydrochloric Acid SCHEMBL8828706 0.87 TSHR (0.40) —
Hydrochloric Acid SCHEMBL8828560 0.85 HPGD (0.46) DRD2
SCHEMBL8828672 0.85 MAPT (0.40) DRD2
Hydrochloric Acid SCHEMBL8828751 0.85 NR3C1 (0.41) —
Hydrochloric Acid SCHEMBL8828734 0.84 MAPT (0.40) DRD2
SCHEMBL9028135 0.78 DRD2 (0.50) DRD2
Hydrochloric Acid SCHEMBL8828499 0.78 MEN1 (0.41) —
Hydrochloric Acid SCHEMBL8828716 0.78 HTR1A (0.43) —

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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