SCHEMBL7939650

SCHEMBL7939650

CC1=NN(c2ccccc2)C(C)C1CNC(=O)c1ccc2c(c1)CCN(C1CCC1)CC2

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.46
CYP2D6 P10635 2/20 0.40
HRH1 P35367 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
RIPK1 Q13546 1/20 0.39
KDM2B Q8NHM5 2/20 0.39

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
SCHEMBL1788806 0.77 HRH3 (0.54) HRH3CYP2D6TMEM97SIGMAR1KDM2B
SCHEMBL1788776 0.77 HRH3 (0.54) HRH3KDM2B
SCHEMBL1789796 0.77 HRH3 (0.54) HRH3KDM2B
SCHEMBL1788648 0.77 P2RX7 (0.46) HRH3
SCHEMBL7948077 0.77 HRH3 (0.44) HRH3CYP2D6HRH1KDM2B
SCHEMBL1787705 0.77 HRH3 (0.61) HRH3CYP2D6HRH1KDM2B
SCHEMBL7946209 0.77 HRH3 (0.48) HRH3HRH1OPRM1OPRK1KDM2B
SCHEMBL1789719 0.76 HRH3 (0.53) HRH3KDM2B
SCHEMBL1788748 0.76 SMN1; SMN2 (0.56) HRH3CYP2D6
SCHEMBL1789634 0.75 HRH3 (0.57) HRH3CYP2D6HRH1TMEM97SIGMAR1

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-2010007382-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED. (JP) 2010-01-21 WO disclosed