SCHEMBL7537772

SCHEMBL7537772

NC(=O)NC1CC2CCCC(C1)N2Cc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.71
L3MBTL1 Q9Y468 2/20 0.68
KMT2A Q03164 1/20 0.68
USP2 O75604 1/20 0.68
OPRK1 P41145 4/20 0.67
CYP2D6 P10635 1/20 0.60
CYP2C19 P33261 1/20 0.60
ALDH1A1 P00352 1/20 0.60
HTR3A P46098 1/20 0.58
DRD2 P14416 1/20 0.57

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
SCHEMBL7545873 0.94 L3MBTL1 (0.65) LMNAL3MBTL1KMT2AUSP2OPRK1
SCHEMBL22582589 0.89 LMNA (0.74) LMNAL3MBTL1KMT2AUSP2OPRK1
SCHEMBL12479774 0.89 LMNA (0.74) LMNAL3MBTL1KMT2AUSP2OPRK1
SCHEMBL22582588 0.89 LMNA (0.74) LMNAL3MBTL1KMT2AUSP2OPRK1
SCHEMBL22582593 0.89 LMNA (0.74) LMNAL3MBTL1KMT2AUSP2OPRK1
SCHEMBL10812960 0.86 KMT2A (0.72) LMNAL3MBTL1KMT2AUSP2OPRK1
SCHEMBL22582542 0.83 KMT2A (0.67) LMNAL3MBTL1KMT2AUSP2OPRK1
SCHEMBL22582544 0.83 KMT2A (0.67) LMNAL3MBTL1KMT2AUSP2OPRK1
SCHEMBL22582539 0.83 KMT2A (0.67) LMNAL3MBTL1KMT2AUSP2OPRK1
SCHEMBL4274767 0.83 L3MBTL1 (0.68) LMNAL3MBTL1KMT2AUSP2OPRK1

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-1254123-A1 2-BENZOTHIAZOLYL UREA DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS Abbott GmbH & Co. KG (DE) 2002-11-06 EP disclosed
WO-2001057008-A1 2-BENZOTHIAZOLYL UREA DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ABBOTT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG & COMPANY KOMMANDITGESELLSCHAFT (DE) 2001-08-09 WO disclosed