SCHEMBL8487588

SCHEMBL8487588

CN(C(=O)c1ccccc1)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.68
MAPT P10636 2/20 0.68
MEN1 O00255 1/20 0.68
LMNA P02545 1/20 0.68
MPO P05164 1/20 0.68
TSHR P16473 1/20 0.68
BLM P54132 1/20 0.68
PMP22 Q01453 1/20 0.68
KMT2A Q03164 1/20 0.68
HIF1A Q16665 1/20 0.68
CDK4 P11802 3/20 0.58
CCND1 P24385 3/20 0.58
MC4R P32245 2/20 0.57
MC5R P33032 1/20 0.57
MC3R P41968 1/20 0.57
APAF1 O14727 1/20 0.54
POLB P06746 1/20 0.54
RECQL P46063 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HTR2A P28223 2/20 0.53

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
SCHEMBL21292830 0.85 KDM4E (0.70) KDM4EMAPTMEN1LMNAMPO
SCHEMBL4126005 0.85 KDM4E (0.70) KDM4EMAPTMEN1LMNAMPO
SCHEMBL2992113 0.85 KDM4E (0.70) KDM4EMAPTMEN1LMNAMPO
Tryptophan SCHEMBL27798727 0.82 KDM4E (0.89) KDM4EMAPTMEN1LMNAMPO
Dl-Tryptophan SCHEMBL27562072 0.82 KDM4E (0.89) KDM4EMAPTMEN1LMNAMPO
Tryptophan SCHEMBL30045975 0.82 KDM4E (0.89) KDM4EMAPTMEN1LMNAMPO
Dl-Tryptophan SCHEMBL27748750 0.82 KDM4E (0.94) KDM4EMAPTMEN1LMNAMPO
Dl-Tryptophan SCHEMBL28580277 0.82 KDM4E (0.94) KDM4EMAPTMEN1LMNAMPO
Tryptophan SCHEMBL27748748 0.82 KDM4E (0.94) KDM4EMAPTMEN1LMNAMPO
Tryptophan SCHEMBL23141133 0.82 KMT2A (1.00) KDM4EMAPTMEN1LMNAMPO

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-5981755-A Tachykinin antagonists WARNER-LAMBERT COMPANY (US) 1999-11-09 US disclosed
US-5856354-A RESPIRATORY SYSTEM DISORDERS, ANTIINFLAMMATORY AGENTS, GASTROINTESTINAL DISORDERS, VISION DEFECTS, ANTIALLERGENS,PAIN, NERVOUS SYSTEM DISORDERS, HEADACHES WARNER-LAMBERT COMPANY (US) 1999-01-05 US disclosed
US-5716979-A NONPEPTIDES, UNIQUE IN ALKYLATION/SUBSTITUTION PATTERN ALONG THEIR BACKBONE, USEFUL FOR TREATING DISORDERS SUCH AS RESPIRATORY, INFLAMMATORY, GASTROINTESTINAL, OPHTHALMIC, ALLERGIES, PAIN, VASCULAR, MIGRANE, ARTHRITIS AND BRAIN WARNER-LAMBERT COMPANY (US) 1998-02-10 US disclosed
US-5594022-A CARBAMATES WARNER-LAMBERT COMPANY (US) 1997-01-14 US disclosed