SCHEMBL9536859

SCHEMBL9536859

COc1cc(Cc2ccccn2)c(N)c(N)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.41
ASIC3 Q9UHC3 1/20 0.41
CHRNA7 P36544 3/20 0.40
MBOAT4 Q96T53 1/20 0.39
PNP P00491 1/20 0.38
MPO P05164 1/20 0.38
GAA P10253 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PGK1 P00558 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HRH1 P35367 1/20 0.36

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
SCHEMBL9539903 0.76 L3MBTL1 (0.42) ADORA2AL3MBTL1ASIC3CHRNA7SMN1; SMN2
SCHEMBL18586016 0.73 MPO (0.62) ADORA2AMPOSMN1; SMN2NPC1ALDH1A1
SCHEMBL9539943 0.72 L3MBTL1 (0.50) L3MBTL1ASIC3MBOAT4PNPHRH3
SCHEMBL9536206 0.72 TXNRD1 (0.37) ADORA2APNPGAASMN1; SMN2NPC1
SCHEMBL28488593 0.72 P2RX3 (0.39) SMN1; SMN2NPC1ALDH1A1RAB9AKDM4E
SCHEMBL9537122 0.71 DHFR (0.43) MPOALDH1A1CNR1CNR2
SCHEMBL2750449 0.69 KDM4E (0.56) L3MBTL1HRH3SMN1; SMN2ALDH1A1KDM4E
SCHEMBL16211565 0.69 L3MBTL1 (0.53) L3MBTL1ASIC3PNPHRH3SMN1; SMN2
SCHEMBL28497215 0.69 KMT2A (0.40) L3MBTL1ALDH1A1RAB9AKDM4E
SCHEMBL23837621 0.68 L3MBTL1 (0.42) L3MBTL1ASIC3CHRNA7SMN1; SMN2PGK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP disclosed
EP-0151826-A1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1985-08-21 EP disclosed