SCHEMBL10501002

SCHEMBL10501002

NN([C]=O)CCc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.52
CYP1A2 P05177 3/20 0.51
CYP3A4 P08684 2/20 0.51
TDP1 Q9NUW8 2/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LIN28A Q9H9Z2 1/20 0.46
TSHR P16473 3/20 0.45
POLB P06746 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
KDM4E B2RXH2 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL10501667 0.84 SMN1; SMN2 (0.55) HRH1CYP1A2CYP3A4TDP1MAPT
SCHEMBL996631 0.79 KDM4E (0.51) HRH1CYP1A2CYP3A4TDP1MAPT
SCHEMBL4961822 0.75 TDP1 (0.63) HRH1CYP1A2CYP3A4TDP1MAPT
SCHEMBL7414349 0.73 KDM4E (0.56) CYP1A2CYP3A4TDP1MAPTSMN1; SMN2
SCHEMBL14433130 0.72 HRH1 (0.52) HRH1CYP1A2CYP3A4TDP1MAPT
SCHEMBL3726672 0.72 NPSR1 (0.58) HRH1CYP1A2CYP3A4TDP1MAPT
SCHEMBL230753 0.72 HRH1 (0.73) HRH1CYP1A2TDP1MAPTSMN1; SMN2
SCHEMBL29485678 0.72 HRH1 (0.73) HRH1CYP1A2TDP1MAPTSMN1; SMN2
SCHEMBL14236891 0.72 HRH1 (0.55) HRH1CYP1A2CYP3A4TDP1MAPT
SCHEMBL14317667 0.72 HRH1 (0.55) HRH1CYP1A2CYP3A4TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0171217-B1 FUSED-RING HETEROCYCLIC COMPOUNDS A PROCESS FOR THEIR PRODUCTION AND THEIR PHARMACEUTICAL USE SANKYO COMPANY LIMITED (JP) 1989-05-03 EP disclosed
US-4716162-A BRAIN FUNCTION SANKYO COMPANY, LIMITED (JP) 1987-12-29 US disclosed
EP-0171217-A2 Fused-ring heterocyclic compounds a process for their production and their pharmaceutical use SANKYO COMPANY LIMITED (JP) 1986-02-12 EP disclosed