SCHEMBL10901774

SCHEMBL10901774

O=C(O)Cc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.70
▸ ALDH1A1 P00352 3/20 0.70
▸ HSP90AA1 P07900 1/20 0.67
▸ AKR1C3 P42330 1/20 0.64
▸ GFER P55789 1/20 0.61
▸ ATM Q13315 1/20 0.61
▸ ME2 P23368 1/20 0.60
▸ ME1 P48163 1/20 0.60
▸ ME3 Q16798 1/20 0.60
▸ ITGB3 P05106 3/20 0.59
▸ ITGA2B P08514 3/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ NPSR1 Q6W5P4 2/20 0.56
▸ PKM P14618 1/20 0.56
▸ MAPT P10636 4/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ TSHR P16473 2/20 0.56
▸ HTT P42858 2/20 0.56
▸ USP2 O75604 1/20 0.56

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
SCHEMBL10900400 0.89 GFER (0.66) LMNAALDH1A1AKR1C3GFERATM
SCHEMBL24158074 0.87 LMNA (0.85) LMNAALDH1A1HSP90AA1AKR1C3MEN1
SCHEMBL10900891 0.87 LMNA (0.67) LMNAALDH1A1HSP90AA1AKR1C3GFER
SCHEMBL6705171 0.83 LMNA (0.88) LMNAALDH1A1HSP90AA1AKR1C3MEN1
SCHEMBL10901064 0.82 ITGB3 (0.70) ALDH1A1GFERATMME2ME1
SCHEMBL10901628 0.82 THRB (0.71) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL10902216 0.81 GFER (0.78) LMNAALDH1A1AKR1C3GFERATM
SCHEMBL9321490 0.80 LMNA (0.74) LMNAALDH1A1HSP90AA1AKR1C3GFER
SCHEMBL13972823 0.80 LMNA (0.64) LMNAALDH1A1HSP90AA1AKR1C3MEN1
SCHEMBL9011009 0.80 LMNA (0.76) LMNAALDH1A1ITGB3ITGA2BMEN1

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
US-4616086-A ANTICOAGULANTS BOEHRINGER MANNHEIM GMBH (DE) 1986-10-07 — — US disclosed
EP-0076996-A1 Carboxylic-acid derivatives, process for their preparation and medicines containing them Roche Diagnostics GmbH (DE) 1983-04-20 — — EP disclosed
Send feedback