SCHEMBL11734243

SCHEMBL11734243

CN1CCN(C(=O)c2ccc(Nc3ccnc4cc(C(F)(F)F)ccc34)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 3/20 0.61
EPHX2 P34913 2/20 0.56
GAK O14976 1/20 0.50
RAD52 P43351 1/20 0.49
GFER P55789 1/20 0.49
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
DHFR P00374 1/20 0.48
KCNH2 Q12809 1/20 0.48
NAMPT P43490 1/20 0.47
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
JAK2 O60674 1/20 0.45
SRC P12931 1/20 0.45
HRH4 Q9H3N8 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45

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
SCHEMBL11738956 0.93 MAPKAPK2 (0.70) MAPKAPK2EPHX2GAKMKNK1MKNK2
SCHEMBL7346130 0.91 PDGFRB (0.51) MAPKAPK2GAKDHFRNAMPTABL1
SCHEMBL11736021 0.91 HPGD (0.52) MAPKAPK2GAKDHFRHPGD
SCHEMBL11730683 0.90 MAPKAPK2 (0.64) MAPKAPK2EPHX2RAD52GFERABL1
SCHEMBL11742317 0.90 HPGD (0.54) MAPKAPK2GAKDHFRHPGD
Hydrochloric Acid SCHEMBL11735242 0.89 HPGD (0.53) MAPKAPK2GAKDHFRHPGD
SCHEMBL11543560 0.89 KDM4E (0.58) MAPKAPK2EPHX2NAMPT
SCHEMBL11735756 0.89 DHFR (0.53) MAPKAPK2EPHX2GAKDHFR
SCHEMBL11739356 0.88 MAPKAPK2 (0.49) MAPKAPK2EPHX2GAKDHFR
SCHEMBL7372028 0.88 MKNK2 (0.52) MAPKAPK2GAKMKNK1MKNK2DHFR

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-4025629-A HYPOTENSIVES, ANTIANXIETY THE UPJOHN COMPANY (US) 1977-05-24 US claimed
US-4025629-A HYPOTENSIVES, ANTIANXIETY THE UPJOHN COMPANY (US) 1977-05-24 US disclosed
US-4025629-A HYPOTENSIVES, ANTIANXIETY THE UPJOHN COMPANY (US) 1977-05-24 US disclosed
US-3992382-A HYPERTENSION AND ANXIETY TREATMENT THE UPJOHN COMPANY (US) 1976-11-16 US disclosed