SCHEMBL7367858

SCHEMBL7367858

C#CC(O)c1ccc(CN)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABAT P80404 1/20 0.43
HRH3 Q9Y5N1 1/20 0.41
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
LOXL2 Q9Y4K0 6/20 0.39
F10 P00742 1/20 0.38
F11 P03951 1/20 0.38
TAAR1 Q96RJ0 1/20 0.35
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
TPSAB1 Q15661 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
HTR3A P46098 1/20 0.33

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
SCHEMBL29184903 0.82 ESR1 (0.46) ESR1ESR2
SCHEMBL7201693 0.79 TSHR (0.45) ESR1ESR2TAAR1
SCHEMBL10621211 0.79 ABAT (0.43) ABATHRH3LOXL2F10F11
SCHEMBL7204878 0.76 LPL (0.42) ESR1ESR2
SCHEMBL6957145 0.76 MAPT (0.38) ESR1ESR2
SCHEMBL4410797 0.75 ABAT (0.52) ABATHRH3LOXL2F10F11
SCHEMBL7207778 0.75 ESR1 (0.41) ESR1ESR2
SCHEMBL7201331 0.75 ESR1 (0.37) ESR1ESR2
SCHEMBL7202338 0.73 CA1 (0.46) ESR1
SCHEMBL6962580 0.73 ESR1 (0.62) ESR1ESR2TAAR1HTR3A

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
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 WO disclosed