SCHEMBL5203232

SCHEMBL5203232

Cn1cc(C2CCN(C(=O)Cc3ccc(Cl)cc3)C2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 2/20 0.51
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 5/20 0.50
POLB P06746 2/20 0.50
RAB9A P51151 1/20 0.48
HTR6 P50406 1/20 0.48
NPSR1 Q6W5P4 2/20 0.45
GFER P55789 1/20 0.44
ATM Q13315 1/20 0.44
HPGD P15428 1/20 0.43
TPSAB1 Q15661 1/20 0.43
HSD11B1 P28845 2/20 0.42
TACR3 P29371 1/20 0.42

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
SCHEMBL5202930 0.80 SLC2A1 (0.59) LMNAMAPTHTTALDH1A1POLB
SCHEMBL5204486 0.80 MAPT (0.54) LMNAMAPTHTTALDH1A1RAB9A
SCHEMBL5705162 0.75 RORC (0.51) LMNAALDH1A1POLBHPGDTPSAB1
SCHEMBL5937364 0.75 ALDH1A1 (0.57) LMNAMAPTALDH1A1POLBTPSAB1
SCHEMBL4858050 0.74 RAB9A (0.62) LMNAMAPTALDH1A1POLBRAB9A
SCHEMBL4859112 0.74 RORC (0.47) LMNAMAPTALDH1A1POLBHTR6
SCHEMBL5202338 0.74 GFER (0.47) ALDH1A1POLBRAB9AHTR6GFER
SCHEMBL4855807 0.74 KDM4E (0.48) LMNAMAPK1ALDH1A1NPSR1TPSAB1
SCHEMBL4859672 0.73 HSD11B1 (0.52) POLBGFERTPSAB1HSD11B1
SCHEMBL5201722 0.73 HTR2B (0.53) LMNAMAPK1ALDH1A1POLBRAB9A

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