SCHEMBL14625802

SCHEMBL14625802

CCc1ccn(C)c1CC

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.33
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
KDM4E B2RXH2 1/20 0.31
KDM6A O15550 1/20 0.31
KDM4A O75164 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM5C P41229 1/20 0.31
KDM2B Q8NHM5 1/20 0.31
DOHH Q9BU89 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
PGR P06401 2/20 0.30
MGLL Q99685 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
SCHEMBL8580041 0.79 PTGDR2 (0.36) KDM4E
SCHEMBL13360703 0.75
SCHEMBL18931684 0.75
SCHEMBL20934615 0.75
SCHEMBL3266092 0.73 KDM4E (0.32) GABRA1GABRB2KDM4E
SCHEMBL21737004 0.73
SCHEMBL16480137 0.73 KDM4E (0.44) CRBNKDM4EKDM6AKDM4ACYP2C9
SCHEMBL869287 0.72 KDM4E (0.62) CRBNGABRA1GABRB2KDM4EKDM6A
Hydrochloric Acid SCHEMBL10404502 0.70 KDM4E (0.60) GABRA1GABRB2KDM4EKDM6AKDM4A
SCHEMBL21515787 0.70 GABRA1 (0.30) GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109755647-A A kind of magnesium battery electrolyte 麻城市天力科技有限公司 2019-05-14 CN disclosed
EP-3112370-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS Nissan Chemical Industries, Ltd. (JP) 2017-01-04 EP disclosed
US-7164021-B2 Opiate analogs selective for the δ-opioid receptor THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2007-01-16 US disclosed