SCHEMBL4781640

SCHEMBL4781640

CC(=O)c1ccc(N2CCC(C(=O)N3CCN(CC4CC4)CC3)C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
ALDH1A1 P00352 3/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK1 P28482 2/20 0.45
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.44
GPR119 Q8TDV5 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
NOTUM Q6P988 2/20 0.41
TDP1 Q9NUW8 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
SCHEMBL4667171 1.00 MAPT (0.57) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL4669561 0.96 MAPT (0.56) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL5196596 0.82 SMN1; SMN2 (0.43) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL13654228 0.82 KMT2A (0.56) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL4667322 0.81 MAPT (0.60) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL4666749 0.81 MAPT (0.56) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL4668417 0.80 MAPT (0.55) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL4668652 0.79 HRH3 (0.58) HRH3NOTUM
SCHEMBL4032425 0.78 HRH1 (0.48) MAPTALDH1A1KMT2AMEN1GPR119
SCHEMBL4668251 0.78 TBK1 (0.42) MAPTALDH1A1LMNASMN1; SMN2GPR119

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
EP-1802307-B1 PYRROLIDINE DERIVATIVES AS HISTAMINE RECEPTORS LIGANDS GLAXO GROUP LTD (GB) 2008-02-27 EP claimed