SCHEMBL5206040

SCHEMBL5206040

Cc1oc(C(C)(C)C)cc1C(=O)N1CCC(c2cn(Cc3ccccc3C#N)c3ccccc23)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
TSHR P16473 4/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 12/20 0.46
GALR3 O60755 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 6/20 0.42
NPSR1 Q6W5P4 6/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 3/20 0.40
HPGD P15428 3/20 0.40
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 1/20 0.40
KLKB1 P03952 1/20 0.39
MAPK1 P28482 2/20 0.38
SLC2A1 P11166 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38

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
SCHEMBL4861849 0.87 KDM1A (0.46) LMNAALDH1A1MAPTNPSR1KMT2A
SCHEMBL1087235 0.69 ALDH1A1 (0.44) ALDH1A1MAPTNPSR1KMT2AMEN1
SCHEMBL5202510 0.68 HSD11B1 (0.55) SMN1; SMN2ALDH1A1KMT2AHTTHRH2
SCHEMBL5204238 0.67 HSD11B1 (0.47) SMN1; SMN2ALDH1A1RAB9AMAPTNPSR1
SCHEMBL5206733 0.66 SCD5 (0.47) SMN1; SMN2TSHRLMNAALDH1A1RAB9A
SCHEMBL5201634 0.66 SLC2A1 (0.47) SMN1; SMN2LMNAALDH1A1NPSR1KMT2A
SCHEMBL5202100 0.66 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1KMT2AHRH2
SCHEMBL5202596 0.66 ALDH1A1 (0.47) TSHRLMNAALDH1A1KDM4ESLC2A1
SCHEMBL5202048 0.65 SLC2A1 (0.44) SMN1; SMN2LMNAALDH1A1MAPTNPSR1
SCHEMBL5206419 0.65 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1KMT2AMEN1MAPK1

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