SCHEMBL4617643

SCHEMBL4617643

CC(C)(N)CCn1ccc2cc([O])ccc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
HTR2C P28335 6/20 0.37
HTR2A P28223 5/20 0.37
CDK4 P11802 5/20 0.36
CCND1 P24385 5/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
LMNA P02545 1/20 0.35
HTR7 P34969 1/20 0.34
EGFR P00533 1/20 0.34

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
SCHEMBL2945781 0.81 CYP2A6 (0.55) PLGPLAUHTR2CHTR2AMTNR1A
SCHEMBL2950156 0.81 PLG (0.38) PLGPLAUHTR2CHTR2ACDK4
SCHEMBL8463092 0.81 HTR2C (0.57) HTR2CHTR2AMTNR1AMTNR1BHTR7
SCHEMBL27718498 0.80 PLG (0.48) PLGPLAU
Hydrochloric Acid SCHEMBL2948588 0.79 PLG (0.38) PLGPLAUHTR2CHTR2ACDK4
SCHEMBL2941157 0.79 PLG (0.45) PLGPLAULMNAHTR7
SCHEMBL27452399 0.79 MTNR1A (0.43) PLGPLAUHTR2CHTR2ACDK4
SCHEMBL2950302 0.78 P2RX7 (0.46) PLGPLAUHTR2CHTR2A
SCHEMBL2946887 0.78 CDK4 (0.63) HTR2CHTR2ACDK4CCND1LMNA
SCHEMBL2947992 0.77 KDM4E (0.46) PLGPLAUMTNR1AMTNR1BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943220-A2 NOVEL INDOLE-CONTAINING BETA AGONISTS, METHOD FOR PRODUCING THEM AND THEIR USE AS DRUGS Boehringer Ingelheim International GmbH (DE) 2008-07-16 EP disclosed
WO-2007048841-A2 NOVEL INDOLE-CONTAINING BETA AGONISTS, METHOD FOR PRODUCING THEM AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 WO disclosed