SCHEMBL7857808

SCHEMBL7857808

NCCC[C@@H](N)C(=O)N(CCOc1ccc2ccccc2c1)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MC4R P32245 10/20 0.60
MC3R P41968 7/20 0.60
MC5R P33032 7/20 0.60
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MC1R Q01726 3/20 0.44
PPARG P37231 2/20 0.43
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
ACHE P22303 2/20 0.41
LTA4H P09960 1/20 0.41
BCHE P06276 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL8358504 1.00 MC4R (0.60) MC4RMC3RMC5RKDM4EALDH1A1
SCHEMBL7857073 0.91 MC4R (0.49) MC4RMC3RMC5RKDM4EALDH1A1
SCHEMBL7857113 0.91 MC4R (0.49) MC4RMC3RMC5RKDM4EALDH1A1
SCHEMBL8360637 0.87 MC4R (0.52) MC4RMC3RMC5RKDM4EALDH1A1
SCHEMBL8360633 0.87 MC4R (0.52) MC4RMC3RMC5RKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL7850378 0.82 MC4R (0.47) MC4RMC3RMC5RKDM4EALDH1A1
SCHEMBL7857869 0.80 MC4R (0.53) MC4RMC3RMC5RMC1R
SCHEMBL7857873 0.80 MC4R (0.53) MC4RMC3RMC5RMC1R
SCHEMBL7850336 0.76 MC4R (0.54) MC4RMC3RMC5RKDM4EALDH1A1
SCHEMBL9269541 0.74 KDM4E (0.57) KDM4EALDH1A1PPARGPPARDPPARA

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
US-6245746-B1 ADMINISTERING AMIDE MICROBIOCIDE ANTIBIOTIC MICROCIDE PHARMACEUTICALS, INC. 2001-06-12 US disclosed
WO-1999037667-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 1999-07-29 WO disclosed