SCHEMBL7405667

SCHEMBL7405667

NCCOc1ccc2c(c1)OCO2

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.68
MAOA P21397 7/20 0.62
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
MAPK1 P28482 2/20 0.53
ALDH1A1 P00352 1/20 0.53
TAAR1 Q96RJ0 1/20 0.51
TSHR P16473 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
FKBP1A P62942 1/20 0.48

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
SCHEMBL7024761 0.91 MAOB (0.66) MAOBMAOANPC1RAB9AMAPK1
SCHEMBL8542594 0.90 MAOB (0.64) MAOBMAOANPC1RAB9AMAPK1
SCHEMBL19732856 0.89 MAOB (0.68) MAOBMAOANPC1RAB9AMAPK1
SCHEMBL107322 0.89 MAOB (0.83) MAOBMAOANPC1RAB9AMAPK1
SCHEMBL8543542 0.88 MAOB (0.62) MAOBMAOANPC1RAB9AMAPK1
SCHEMBL7958783 0.88 MAOB (0.62) MAOBMAOANPC1RAB9AMAPK1
SCHEMBL108114 0.87 MAOB (0.74) MAOBMAOANPC1RAB9AMAPK1
SCHEMBL11802724 0.85 MAOB (0.72) MAOBMAOANPC1RAB9AMAPK1
Hydrochloric Acid SCHEMBL5009251 0.83 MAOB (0.56) MAOBMAOANPC1RAB9AMAPK1
SCHEMBL74037 0.82 MAOB (0.68) MAOBMAOANPC1RAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4503067-A HYPOTENSIVE, ANGINA PECTORIS BOEHRINGER MANNHEIM GMBH (DE) 1985-03-05 US disclosed
EP-0004920-B1 DERIVATIVES OF CARBAZOLYL-4-OXYPROPANOLAMINE, METHODS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM Roche Diagnostics GmbH (DE) 1981-08-05 EP disclosed
EP-0004920-A1 Derivatives of carbazolyl-4-oxypropanolamine, methods for their preparation and medicines containing them Roche Diagnostics GmbH (DE) 1979-10-31 EP disclosed
US-4119729-A TREATMENT OF HYPERTENSION MEAD JOHNSON & COMPANY (US) 1978-10-10 US disclosed
US-4067904-A ANTIARRHYTHMIA, HYPOTENSIVE MEAD JOHNSON & COMPANY (US) 1978-01-10 US disclosed