SCHEMBL9185065

SCHEMBL9185065

CN(C)c1ccc(C(=O)C#Cc2ccnc3ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.49
HTR2B P41595 2/20 0.49
CNR2 P34972 2/20 0.47
APP P05067 2/20 0.47
HPGD P15428 4/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 6/20 0.40
ALDH1A1 P00352 4/20 0.40
HTT P42858 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 3/20 0.39
CYP1A2 P05177 2/20 0.39
HSD17B10 Q99714 1/20 0.39
NQO2 P16083 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 1/20 0.39
NFKB1 P19838 1/20 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
SCHEMBL9070259 0.87 HTR2C (0.53) HTR2CHTR2BHPGDRAB9ANPC1
SCHEMBL15947634 0.79 SNCA (0.48) HTR2CHTR2BCNR2HPGDMAPT
SCHEMBL9131641 0.76 APP (0.56) CNR2APPHPGDRAB9ANPC1
SCHEMBL9133103 0.75 APP (0.52) CNR2APPHPGDRAB9ANPC1
SCHEMBL9131768 0.72 APP (0.53) CNR2APPRAB9ANPC1MAPT
SCHEMBL9183847 0.72 CNR2 (0.58) CNR2APPHPGDRAB9ANPC1
SCHEMBL8084097 0.72 HTR2C (0.48) HTR2CHTR2BCNR2HPGDRAB9A
SCHEMBL9184573 0.71 APP (0.51) CNR2APPHPGDRAB9ANPC1
SCHEMBL15947627 0.71 NCF1 (0.54) HPGDRAB9ANPC1MAPTALDH1A1
SCHEMBL9130686 0.70 APP (0.68) APPHPGDRAB9ANPC1MAPT

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
EP-0476645-B1 Calcium uptake inhibitors MERRELL DOW PHARMA (US) 1995-09-06 EP disclosed