SCHEMBL11955565

SCHEMBL11955565

CCc1ccc(CN(C)C)nc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.47
KMT2A Q03164 7/20 0.47
MAPT P10636 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
KDM4E B2RXH2 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 5/20 0.44
LMNA P02545 4/20 0.44
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL10272677 0.84 CHRNB2 (0.46) HRH3KMT2AMAPTCYP1A2CYP2D6
SCHEMBL14873858 0.83 KMT2A (0.53) HRH3KMT2AMAPTCYP1A2CYP2D6
SCHEMBL9908275 0.82 HRH3 (0.46) HRH3KMT2AMAPTCYP1A2CYP2D6
SCHEMBL30398570 0.81 HRH3 (0.55) HRH3KMT2AMAPTCYP1A2CYP2D6
SCHEMBL487617 0.81 HRH3 (0.55) HRH3KMT2AMAPTCYP1A2CYP2D6
SCHEMBL5025697 0.79 KMT2A (0.47) HRH3KMT2AMAPTCYP1A2CYP2D6
SCHEMBL5024697 0.78 HRH3 (0.43) HRH3KMT2AMAPTCYP1A2CYP2D6
SCHEMBL5025696 0.78 KMT2A (0.41) HRH3KMT2AMAPTCYP1A2CYP2D6
SCHEMBL5025701 0.78 KMT2A (0.41) HRH3KMT2AMAPTCYP1A2CYP2D6
SCHEMBL5024694 0.77 KDM4E (0.42) HRH3KMT2AMAPTCYP1A2CYP2D6

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
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 US disclosed