SCHEMBL7966044

SCHEMBL7966044

CC(C)(C)[C@@](C)(NC(=O)O)C(=O)N1CCN(CCCOc2ccc(Br)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 13/20 0.59
HRH1 P35367 13/20 0.59
RAB9A P51151 1/20 0.56
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DRD2 P14416 2/20 0.47
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KCNA5 P22460 1/20 0.45
RECQL P46063 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL7966024 1.00 HRH2 (0.59) HRH2HRH1RAB9AKDM4ESMN1; SMN2
SCHEMBL7979509 0.88 HRH2 (0.63) HRH2HRH1KDM4EDRD2HRH3
SCHEMBL7966219 0.88 HRH2 (0.63) HRH2HRH1KDM4EDRD2HRH3
SCHEMBL7982423 0.81 HRH1 (0.43) HRH2HRH1DRD2HRH3
SCHEMBL15300688 0.78 HRH2 (0.69) HRH2HRH1RAB9ADRD2HRH3
SCHEMBL7243588 0.76 HRH2 (0.61) HRH2HRH1RAB9AKDM4ESMN1; SMN2
SCHEMBL7978302 0.76 HRH2 (0.61) HRH2HRH1RAB9AKDM4ESMN1; SMN2
SCHEMBL7245178 0.76 HRH2 (0.61) HRH2HRH1RAB9AKDM4ESMN1; SMN2
SCHEMBL7244345 0.74 HRH2 (0.65) HRH2HRH1RAB9AKDM4ESMN1; SMN2
SCHEMBL7245611 0.74 SIGMAR1 (0.63) HRH2HRH1RAB9ADRD2

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
WO-2001066534-A2 CYCLIC AND BICYCLIC DIAMINO HISTAMINE-3 RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2001-09-13 WO claimed