SCHEMBL8828498

SCHEMBL8828498

CCCNc1c(C(=O)N(C)C)cccc1N1CCN(c2cc(Cl)ccc2OC)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ HTR1A P08908 4/20 0.45
▸ ADRA1D P25100 4/20 0.45
▸ ADRA1A P35348 4/20 0.45
▸ ADRA1B P35368 4/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL8828608 0.99 LMNA (0.45) LMNATP53HTR1AADRA1DADRA1A
SCHEMBL8828487 0.88 DRD2 (0.51) —
Hydrochloric Acid SCHEMBL8828696 0.87 DRD2 (0.50) —
SCHEMBL8828495 0.87 LMNA (0.50) LMNAHTR1AADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL8828602 0.86 LMNA (0.49) LMNAHTR1AADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL8828654 0.82 — —
Hydrochloric Acid SCHEMBL8828566 0.79 DRD2 (0.47) —
SCHEMBL8828655 0.78 PKM (0.47) —
SCHEMBL9027479 0.77 ADRA1D (0.60) LMNAHTR1AADRA1DADRA1AADRA1B
SCHEMBL8828463 0.77 — —

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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