SCHEMBL7958783

SCHEMBL7958783

NCCCCCCOc1ccc2c(c1)OCO2

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.62
MAOA P21397 7/20 0.60
MAPK1 P28482 2/20 0.50
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
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 1/20 0.49
TAAR1 Q96RJ0 1/20 0.47
KCNH2 Q12809 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL8543542 1.00 MAOB (0.62) MAOBMAOAMAPK1TSHRMEN1
SCHEMBL8542594 0.98 MAOB (0.64) MAOBMAOAMAPK1TSHRMEN1
SCHEMBL7024761 0.93 MAOB (0.66) MAOBMAOAMAPK1TSHRMEN1
SCHEMBL11802724 0.92 MAOB (0.72) MAOBMAOAMAPK1TSHRMEN1
SCHEMBL7405667 0.88 MAOB (0.68) MAOBMAOAMAPK1TSHRMEN1
SCHEMBL108114 0.86 MAOB (0.74) MAOBMAOAMAPK1TSHRMEN1
SCHEMBL107322 0.84 MAOB (0.83) MAOBMAOAMAPK1TSHRMEN1
SCHEMBL11796757 0.84 MAOB (0.62) MAOBMAOAMAPK1TSHRMEN1
SCHEMBL14382267 0.84 MAOB (0.62) MAOBMAOAMAPK1TSHRMEN1
SCHEMBL11798933 0.84 MAOB (0.65) MAOBMAOAMAPK1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6303641-B1 FOR THERAPY AND PROPHYLAXIS OF DISEASES CHARACTERIZED BY ABNORMAL CELL DIFFERENTIATION AND/OR CELL PROLIFERATION SUCH AS PSORIASIS AND CANCER LEO PHARMACEUTICALS PRODUCTS LTD. (DK) 2001-10-16 US disclosed
EP-0984940-A1 CYANOAMIDINES AS CELL PROLIFERATION INHIBITORS LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2000-03-15 EP disclosed
WO-1998054147-A1 CYANOAMIDINES AS CELL PROLIFERATION INHIBITORS Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 1998-12-03 WO disclosed
US-5696140-A FOR TREATMENT OF ASTHMA, ALLERGIES, NERVOUS SYSTEM DISORDERS OR CANCER LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1997-12-09 US disclosed