SCHEMBL8019571

SCHEMBL8019571

CC1CC(=O)c2cc(OCc3ccccc3)cnc2C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.58
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAOB P27338 9/20 0.45
MAOA P21397 7/20 0.45
HPD P32754 1/20 0.45
TOP1 P11387 1/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CREBBP Q92793 1/20 0.43
GSTP1 P09211 1/20 0.43
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
P4HTM Q9NXG6 1/20 0.41

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
SCHEMBL8032722 0.80 CYSLTR1 (0.49) GRM5
SCHEMBL10314878 0.79 MAOB (0.64) GRM5NPC1ALDH1A1HPGDRAB9A
SCHEMBL8463967 0.76 MAOB (0.39) HPGDMAOBMAOATOP1CREBBP
SCHEMBL10009086 0.74 MAOA (0.49) GRM5MAOBMAOATOP1GSTP1
SCHEMBL2713936 0.74 GRM5 (1.00) GRM5NPC1ALDH1A1HPGDRAB9A
SCHEMBL8029125 0.73 GRM5 (0.56) GRM5NPC1ALDH1A1HPGDRAB9A
SCHEMBL10008711 0.72 GRM5 (0.55) GRM5MAOBMAOATOP1GSTP1
SCHEMBL8030862 0.70 GRM5 (0.56) GRM5NPC1ALDH1A1HPGDRAB9A
SCHEMBL9763278 0.70 GRM5 (0.56) GRM5NPC1ALDH1A1HPGDRAB9A
SCHEMBL10314877 0.69 GRM5 (0.48) GRM5MAOBMAOATOP1

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 13 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-1024663-C Substituted tetralins for treating asthma PFIZER (US) 1994-05-25 CN 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
WO-1989003681-A1 SUBSTITUTED TETRALINS, CHROMANS AND RELATED COMPOUNDS IN THE TREATMENT OF ASTHMA PFIZER INC. (US) 1989-05-05 WO 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