SCHEMBL3635490

SCHEMBL3635490

O=C(N[C@H](C(=O)c1nc(C2CC2)sc1-c1ccccc1F)C1CCCCN1)c1cccc(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 1/20 0.36
CCKBR P32239 1/20 0.36
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
BACE1 P56817 1/20 0.32
KAT6A Q92794 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3055518 1.00 CCKAR (0.36) CCKARCCKBRCCNA2CDK2CCNA1
SCHEMBL3056202 0.91 GRM5 (0.36) CCNA2CDK2CCNA1ALDH1A1SMN1; SMN2
SCHEMBL3636572 0.91 LMNA (0.40) MAPT
SCHEMBL3637045 0.91 GRM5 (0.36) CCNA2CDK2CCNA1ALDH1A1SMN1; SMN2
SCHEMBL3046412 0.91 LMNA (0.40) MAPT
SCHEMBL3636959 0.89 HCRTR1 (0.37) CCNA2CDK2CCNA1MEN1KMT2A
SCHEMBL3048755 0.89 HCRTR1 (0.37) CCNA2CDK2CCNA1MEN1KMT2A
SCHEMBL3640805 0.86 HCRTR1 (0.40)
SCHEMBL3048983 0.86 HCRTR1 (0.36) CCNA2CDK2CCNA1MEN1KMT2A
SCHEMBL3053202 0.86 HCRTR1 (0.40)

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-2155739-A1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-02-24 EP disclosed
WO-2008139416-A1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-11-20 WO disclosed