SCHEMBL9404244

SCHEMBL9404244

COCOc1ccc2c(c1)CCNCC2

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.60
ADRA2B P18089 1/20 0.60
ADRA2C P18825 1/20 0.60
HRH3 Q9Y5N1 8/20 0.60
HRH1 P35367 1/20 0.52
HTR2C P28335 5/20 0.44
HTR2B P41595 4/20 0.44
HTR2A P28223 2/20 0.44
CYP2D6 P10635 1/20 0.42
SLC2A1 P11166 1/20 0.42
CD274 Q9NZQ7 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SYK P43405 2/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 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
SCHEMBL10071539 0.88 ALOX15 (0.46) ADRA2AADRA2BADRA2CHRH3ALOX15
Hydrochloric Acid SCHEMBL3894376 0.81 ADRA2A (0.62) ADRA2AADRA2BADRA2CHRH3HRH1
SCHEMBL31317936 0.80 HTR2C (0.60) ADRA2AADRA2BADRA2CHRH3HTR2C
SCHEMBL225918 0.80 HTR2C (0.60) ADRA2AADRA2BADRA2CHRH3HTR2C
SCHEMBL10071531 0.79 ALOX15 (0.42) ADRA2AADRA2BADRA2CHRH3ALOX15
Hydrochloric Acid SCHEMBL3694891 0.79 HTR2C (0.58) ADRA2AADRA2BADRA2CHRH3HTR2C
SCHEMBL21762574 0.79 ADRA2A (0.59) ADRA2AADRA2BADRA2CHRH3HRH1
SCHEMBL10071543 0.78 ALOX15 (0.41) ADRA2AADRA2BADRA2CHRH3ALOX15
SCHEMBL10071536 0.78 ALOX15 (0.41) ADRA2AADRA2BADRA2CHRH3ALOX15
Hydrochloric Acid SCHEMBL21753257 0.78 ADRA2A (0.57) ADRA2AADRA2BADRA2CHRH3HRH1

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-0383247-B1 Benzazepines with antidopaminergic activity NOVO NORDISK AS (DK) 1994-08-03 EP claimed
EP-0383247-B1 Benzazepines with antidopaminergic activity NOVO NORDISK AS (DK) 1994-08-03 EP disclosed
US-5079243-A Nervous System Disorders, Antidopaminergic Effect NOVO NORDISK A/S (DK) 1992-01-07 US disclosed