SCHEMBL8828495

SCHEMBL8828495

CCCNc1cccc(C(=O)N(C)C)c1N1CCN(c2cc(Cl)ccc2OC)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.50
▸ ADRA1D P25100 4/20 0.46
▸ ADRA1A P35348 4/20 0.46
▸ ADRA1B P35368 4/20 0.46
▸ HTR1A P08908 3/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44

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 SCHEMBL8828602 0.99 LMNA (0.49) LMNAADRA1DADRA1AADRA1BHTR1A
SCHEMBL8828484 0.88 HPGD (0.48) LMNAKMT2AUSP2
SCHEMBL8828498 0.87 LMNA (0.45) LMNAADRA1DADRA1AADRA1BHTR1A
Hydrochloric Acid SCHEMBL8828688 0.87 HPGD (0.48) LMNAHTR1AKMT2AUSP2
Hydrochloric Acid SCHEMBL8828608 0.86 LMNA (0.45) LMNAADRA1DADRA1AADRA1BHTR1A
Hydrochloric Acid SCHEMBL8828649 0.83 HTR1A (0.43) HTR1A
SCHEMBL9027479 0.81 ADRA1D (0.60) LMNAADRA1DADRA1AADRA1BHTR1A
Hydrochloric Acid SCHEMBL9026954 0.80 ADRA1D (0.59) LMNAADRA1DADRA1AADRA1BHTR1A
Hydrochloric Acid SCHEMBL8828560 0.78 HPGD (0.46) —
Hydrochloric Acid SCHEMBL8828499 0.78 MEN1 (0.41) MEN1KMT2A

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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