SCHEMBL7368542

SCHEMBL7368542

NCc1ccc(N2CC(O)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABAT P80404 1/20 0.41
RORC P51449 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
LOXL2 Q9Y4K0 6/20 0.38
F10 P00742 1/20 0.36
F11 P03951 1/20 0.36
TAAR1 Q96RJ0 1/20 0.34
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
TPSAB1 Q15661 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NCOR2 Q9Y618 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
SCHEMBL8276474 0.85 LOXL2 (0.49) RORCLOXL2
SCHEMBL8276467 0.85 LOXL2 (0.49) RORCLOXL2
SCHEMBL8276473 0.81 RORC (0.42) ABATRORCLOXL2TPSAB1
SCHEMBL22854280 0.80 KDM4E (0.52) RORC
SCHEMBL3549208 0.77 MAPT (0.48) RORC
SCHEMBL20979915 0.77 LOXL2 (0.35) ABATHRH3LOXL2F10F11
SCHEMBL18357546 0.77 ABAT (0.35) ABATHRH3LOXL2F10F11
SCHEMBL8275193 0.77 RORC (0.34) RORC
SCHEMBL12294725 0.76 HRH3 (0.48) ABATHRH3LOXL2
SCHEMBL22918664 0.76 KLKB1 (0.41) ABATHRH3LOXL2TAAR1TPSAB1

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-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
CN-1254335-A Nicotinamide derivatives PFIZER PROD INC (US) 2000-05-24 CN 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