SCHEMBL8699418

SCHEMBL8699418

CCC(C1CCCN(CCCc2ccccc2)C1)n1ccnc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
KAT2B Q92831 1/20 0.43
KMT2A Q03164 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL8701270 0.79 HPGD (0.54) KMT2A
SCHEMBL19844821 0.76 KDM4E (0.54) KDM4EKMT2ASIGMAR1
SCHEMBL19844793 0.76 KDM4E (0.54) KDM4EKMT2ASIGMAR1
SCHEMBL19844798 0.76 KDM4E (0.54) KDM4EKMT2ASIGMAR1
SCHEMBL8539478 0.73 SLC6A2 (0.50) KDM4EKMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL8539162 0.72 SLC6A2 (0.49) KDM4EKMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL8696472 0.72 SIGMAR1 (0.44) KMT2ASIGMAR1
SCHEMBL8699420 0.72 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL8539669 0.70 SIGMAR1 (0.47) KMT2ASIGMAR1
SCHEMBL8698574 0.70 CYP17A1 (0.41) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5741800-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS KNOLL AKTIENGESELLACHAFT (DE) 1998-04-21 US disclosed