SCHEMBL5202270

SCHEMBL5202270

CCN(CC)C(=O)Cn1cc(C2CCN(CC(=O)Nc3ccc(C(F)(F)F)cc3)C2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
THRB P10828 1/20 0.43
RXFP1 Q9HBX9 2/20 0.43
KMT2A Q03164 7/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
MEN1 O00255 5/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
PSMB11 A5LHX3 1/20 0.41
PSMA7 O14818 1/20 0.41
PSMB1 P20618 1/20 0.41
PSMA1 P25786 1/20 0.41
PSMA2 P25787 1/20 0.41
PSMA3 P25788 1/20 0.41
PSMA4 P25789 1/20 0.41
PSMB8 P28062 1/20 0.41
PSMB9 P28065 1/20 0.41
PSMA5 P28066 1/20 0.41
PSMB4 P28070 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
SCHEMBL4859493 0.74 ALDH1A1 (0.50) MAPTKMT2AALDH1A1TP53MEN1
SCHEMBL5203151 0.72 ALDH1A1 (0.50) MAPTKMT2AALDH1A1MEN1USP2
SCHEMBL5204533 0.71 ALDH1A1 (0.46) MAPTKMT2ASMN1; SMN2ALDH1A1TP53
SCHEMBL4861066 0.70 MEN1 (0.46) MAPTKMT2AALDH1A1TP53MEN1
SCHEMBL5240385 0.68 SLC5A1 (0.52) MAPTSMN1; SMN2ALDH1A1DRD4
SCHEMBL4857534 0.67 DRD4 (0.40) MAPTKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL8299569 0.66 DRD4 (0.56) THRBKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL5206126 0.66 KMT2A (0.42) KMT2ASMN1; SMN2ALDH1A1MEN1RAB9A
SCHEMBL5202530 0.65 ALDH1A1 (0.42) MAPTKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL5204500 0.65 TPSAB1 (0.47) MAPTKMT2ASMN1; SMN2ALDH1A1

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-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP claimed
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP disclosed