SCHEMBL8019557

SCHEMBL8019557

CC1CC(=O)c2cc([N+](=O)[O-])cnc2C1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.51
ALDH1A1 P00352 4/20 0.41
RAB9A P51151 4/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
MAOB P27338 2/20 0.38
USP2 O75604 1/20 0.38
STAT1 P42224 1/20 0.36

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
SCHEMBL10536487 0.99 GRM5 (0.50) GRM5ALDH1A1RAB9AKMT2AMAPT
SCHEMBL10536476 0.99 GRM5 (0.50) GRM5ALDH1A1RAB9AKMT2AMAPT
SCHEMBL8029125 0.75 GRM5 (0.56) GRM5ALDH1A1RAB9AKMT2ANPC1
SCHEMBL4433230 0.74 GRM5 (0.48) GRM5ALDH1A1RAB9AKMT2AMAPT
SCHEMBL31378888 0.73 MAPT (0.42) ALDH1A1MAPTMAOB
SCHEMBL6770042 0.73 MAPT (0.42) ALDH1A1MAPTMAOB
SCHEMBL3932843 0.71 MAPT (0.48) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL6771840 0.71 MAPT (0.45) ALDH1A1RAB9AMAPTMAOB
SCHEMBL2713936 0.68 GRM5 (1.00) GRM5ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL8019571 0.66 GRM5 (0.58) GRM5ALDH1A1RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6166031-A Substituted tetralins, chromans and related compounds in the treatment of asthma PFIZER INC, (US) 2000-12-26 US disclosed
US-5998451-A LIPOXYGENASE INHIBITORS PFIZER INC (US) 1999-12-07 US disclosed
CN-1021823-C Substituted chroman compounds for treatment of asthma, arthritis and the like PFIZER (US) 1993-08-18 CN disclosed
EP-0313295-B1 SUBSTITUTED TETRALINS, CHROMANS AND RELATED COMPOUNDS IN THE TREATMENT OF ASTHMA, ARTHRITIS AND RELATED DISEASES PFIZER INC. (US) 1993-07-28 EP disclosed
CN-1064864-A The tetraline that replaces and the preparation method of allied compound PFIZER (US) 1992-09-30 CN disclosed
CN-1063489-A Substituted benzotetrahydropyridines and related compounds PFIZER (US) 1992-08-12 CN disclosed
US-5059609-A Lipoxygenase inhibitors; leukotriene receptor blockers; psoriasis; antiulcer agents and myocardial infarctions PFIZER INC. (US) 1991-10-22 US disclosed
CN-1033277-A Substituted tetralinchromans and related compounds for the treatment of asthma PFIZER (US) 1989-06-07 CN disclosed
CN-1032659-A Substituted tetralins, chromans and like compounds for the treatment of asthma, arthritis and like diseases PFIZER (US) 1989-05-03 CN disclosed
EP-0313296-A2 Substituted chromans and related compounds in the treatment of asthma PFIZER INC. (US) 1989-04-26 EP disclosed
EP-0313295-A2 Substituted tetralins, chromans and related compounds in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1989-04-26 EP disclosed