SCHEMBL4782969

SCHEMBL4782969

Nc1ccc(C(O)C2CCCNC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.37
CPN1 P15169 1/20 0.36
CPB2 Q96IY4 1/20 0.36
CHEK1 O14757 1/20 0.36
SLC6A3 Q01959 1/20 0.35
PRKCZ Q05513 1/20 0.34
PRKD2 Q9BZL6 1/20 0.34
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL973412 0.83 GBA1 (0.45) CPN1CPB2SLC6A3KDM1AMAOB
Hydrochloric Acid SCHEMBL10568595 0.82 GBA1 (0.44) CPN1CPB2SLC6A3KDM1AMAOB
SCHEMBL7895852 0.77 SLC6A3 (0.33) CPN1CPB2CHEK1SLC6A3PRKCZ
Trifluoroacetic Acid SCHEMBL20472460 0.75 CPN1 (0.39) CPN1CPB2SLC6A3HTR2AHTR2C
SCHEMBL4563760 0.75 HIF1A (0.55) SLC6A3
SCHEMBL27310465 0.73 SLC6A2 (0.42) SLC6A3
SCHEMBL3616023 0.73 SLC6A4 (0.48) SLC6A3
SCHEMBL1862768 0.73 SLC6A4 (0.48) SLC6A3
SCHEMBL3616019 0.73 SLC6A4 (0.48) SLC6A3
SCHEMBL1862764 0.73 SLC6A4 (0.48) SLC6A3

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-1937271-A1 MICROANGIOPATHY TREATMENT AND PREVENTION Bayer HealthCare AG (DE) 2008-07-02 EP disclosed
WO-2007042146-A1 MICROANGIOPATHY TREATMENT AND PREVENTION BAYER HEALTHCARE AG (DE) 2007-04-19 WO disclosed