SCHEMBL18079682

SCHEMBL18079682

COC(=O)c1ccnc(N2CCC[C@H](C)C2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.53
PROKR1 Q8TCW9 6/20 0.49
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
ADRA1A P35348 1/20 0.47
RECQL P46063 1/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPK1 P28482 1/20 0.46
KDM4C Q9H3R0 2/20 0.46
KDM6B O15054 1/20 0.46
KDM5C P41229 1/20 0.46
KDM2A Q9Y2K7 1/20 0.46
KDM3A Q9Y4C1 1/20 0.46
PIK3CA P42336 1/20 0.46
KDM5A P29375 2/20 0.45
KDM5B Q9UGL1 2/20 0.45
NPC1 O15118 3/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 2/20 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
SCHEMBL15630881 0.87 HRH3 (0.53) HRH3PROKR1KDM4ERAB9ASMN1; SMN2
SCHEMBL3742386 0.86 PIK3CA (0.56) PROKR1KDM4EALDH1A1ADRA1ARECQL
SCHEMBL3750019 0.83 HRH3 (0.57) HRH3PROKR1KDM4EALDH1A1RAB9A
SCHEMBL15630937 0.81 RAB9A (0.63) HRH3KDM4EALDH1A1ADRA1ARAB9A
SCHEMBL18080824 0.80 MAP4K4 (0.55) HRH3
SCHEMBL19202594 0.79 PROKR1 (0.53) HRH3PROKR1KDM4ERAB9ASMN1; SMN2
SCHEMBL30378524 0.79 PROKR1 (0.53) HRH3PROKR1KDM4ERAB9ASMN1; SMN2
SCHEMBL26089568 0.78 HRH3 (0.51) HRH3PROKR1KDM4ERAB9ASMN1; SMN2
SCHEMBL15630696 0.78 ALDH1A1 (0.50) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL15630932 0.77 ALDH1A1 (0.54) KDM4EALDH1A1RAB9ASMN1; SMN2MAPK1

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-9447090-B2 Imidazopyridine compounds ASTELLAS PHARMA INC. (JP) 2016-09-20 US disclosed