SCHEMBL20357250

SCHEMBL20357250

NC1CCC(Oc2ccnc(N3CCOCC3)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 11/20 0.59
▸ PIK3CA P42336 3/20 0.45
▸ AKT1 P31749 1/20 0.43
▸ MTOR P42345 1/20 0.43
▸ LNPEP Q9UIQ6 1/20 0.42
▸ SYK P43405 1/20 0.41
▸ MAPK13 O15264 1/20 0.41

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
SCHEMBL18616062 1.00 LRRK2 (0.59) LRRK2PIK3CAAKT1MTORLNPEP
Hydrochloric Acid SCHEMBL20357364 0.99 LRRK2 (0.58) LRRK2PIK3CAAKT1MTORLNPEP
Hydrochloric Acid SCHEMBL20357362 0.99 LRRK2 (0.58) LRRK2PIK3CAAKT1MTORLNPEP
SCHEMBL18615426 0.80 HRH3 (0.48) LRRK2PIK3CASYK
SCHEMBL20357391 0.80 HRH3 (0.48) LRRK2PIK3CASYK
Hydrochloric Acid SCHEMBL20357392 0.79 HRH3 (0.47) LRRK2PIK3CASYK
Hydrochloric Acid SCHEMBL20357393 0.79 HRH3 (0.47) LRRK2PIK3CASYK
SCHEMBL18615748 0.78 CYP2C19 (0.58) LRRK2SYK
Hydrochloric Acid SCHEMBL20357289 0.77 CYP2C19 (0.57) LRRK2SYK
Hydrochloric Acid SCHEMBL20357286 0.77 CYP2C19 (0.57) LRRK2SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3345893-B1 UREA DERIVATIVE AND USE THEREFOR TORAY INDUSTRIES (JP) 2019-10-30 — — EP disclosed
EP-3345893-A1 UREA DERIVATIVE AND USE THEREFOR Toray Industries, Inc. (JP) 2018-07-11 — — EP disclosed
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