SCHEMBL9425282

SCHEMBL9425282

Cc1nc2n(c(=O)c1CCO)CCN2C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
HTR1A P08908 7/20 0.32
DRD2 P14416 7/20 0.32
HTR2A P28223 7/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
GAA P10253 1/20 0.30

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
Hydrochloric Acid SCHEMBL9592781 0.85 HTR1A (0.31) HTR1ADRD2HTR2A
SCHEMBL9388846 0.75 KDM4E (0.37) KDM4E
SCHEMBL3785984 0.72 GAA (0.47) KDM4EALDH1A1MAPTGAA
SCHEMBL12943501 0.72 DRD2 (0.53) KDM4EHTR1ADRD2HTR2AALDH1A1
SCHEMBL5623016 0.72 DRD2 (0.48) HTR1ADRD2HTR2AALDH1A1MAPT
SCHEMBL9386581 0.71 ALDH1A1 (0.51) ALDH1A1MAPTGAA
SCHEMBL3521123 0.70 KDM4E (0.44) KDM4EALDH1A1MAPTGAA
SCHEMBL13925636 0.70 KDM4E (0.40) KDM4EHTR1ADRD2HTR2AALDH1A1
SCHEMBL7318656 0.70 ALDH1A1 (0.51) KDM4EALDH1A1MAPTGAA
SCHEMBL9382067 0.68 KDM4E (0.43) KDM4EALDH1A1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5284854-A Antiserotonin. antihistamine agents; for sleep disorders JANSSEN PHARMACEUTICA N.V. (BE) 1994-02-08 US disclosed
US-5256659-A Antiserotonine agents, antihistamines for nervous system disorders or psychological disorders JANSSEN PHARMACEUTICA N.V. (BE) 1993-10-26 US disclosed
US-5140029-A Administering for nervous system, sleep or psychotic disorders JANSSEN PHARMACEUTICA N.V. (BE) 1992-08-18 US disclosed
US-5008268-A Antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-16 US disclosed