SCHEMBL10340228

SCHEMBL10340228

CCOC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
FKBP1A P62942 2/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MAPK1 P28482 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.40
POLB P06746 3/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL10340227 1.00 ALDH1A1 (0.46) ALDH1A1FKBP1AKMT2AMEN1MAPK1
SCHEMBL10340224 1.00 ALDH1A1 (0.46) ALDH1A1FKBP1AKMT2AMEN1MAPK1
SCHEMBL11483634 0.95 ALDH1A1 (0.44) ALDH1A1FKBP1AKMT2AMEN1MAPK1
SCHEMBL2098632 0.90 CHRM4 (0.45) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL14296477 0.90 ALDH1A1 (0.46) ALDH1A1FKBP1AKMT2AMEN1MAPK1
SCHEMBL27746599 0.88 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTPOLBRAB9A
SCHEMBL10560081 0.87 PPM1B (0.38)
SCHEMBL23662579 0.84 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTPOLBRAB9A
SCHEMBL12015491 0.83 KDM4E (0.37) ALDH1A1FKBP1AKDM4EPOLB
SCHEMBL12015495 0.82 ALDH1A1 (0.36) ALDH1A1FKBP1AKDM4EPOLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0248824-B1 USE OF CIS-N-(2 AMINOCYCLOALIPHATIC) BENZENE ACETAMIDE AND BENZAMIDE FOR THE MANUFACTURE OF ANTICONVULSANTS THE UPJOHN COMPANY (US) 1990-01-17 EP disclosed
US-4801604-A REDUCED ANALGESIC PROPERTIES THE UPJOHN COMPANY (US) 1989-01-31 US disclosed
EP-0248824-A1 Use of CIS-N-(2 Aminocycloaliphatic) benzene acetamide and Benzamide for the manufacture of anticonvulsants. UPJOHN CO (US) 1987-12-16 EP disclosed
EP-0222533-A1 Cis-N-[(2-aminocycloaliphatic)benzene acetamide and -benzamide anticonvulsants THE UPJOHN COMPANY (US) 1987-05-20 EP disclosed
WO-1987002584-A1 CIS-N-(2-AMINOCYCLOALIPHATIC)BENZENE ACETAMIDE AND -BENZAMIDE ANTICONVULSANTS THE UPJOHN COMPANY (US) 1987-05-07 WO disclosed