SCHEMBL13906089

SCHEMBL13906089

Cc1nn(-c2ccccc2)nc1CCCOc1cccc(CNCC=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.43
PPARA Q07869 5/20 0.43
LMNA P02545 3/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPK1 P28482 2/20 0.40
PKM P14618 1/20 0.39
BCHE P06276 4/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
DRD3 P35462 1/20 0.38
MPO P05164 1/20 0.38
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL13906048 0.89 BCHE (0.46) PPARGPPARALMNACYP3A4TSHR
SCHEMBL13899510 0.86 PPARG (0.46) PPARGPPARALMNACYP3A4TSHR
SCHEMBL13899497 0.82 PPARG (0.49) PPARGPPARALMNACYP3A4TSHR
SCHEMBL13899499 0.81 MAOA (0.45) PPARGPPARACYP3A4KDM4EMAPK1
SCHEMBL13906024 0.77 LMNA (0.41) PPARGPPARALMNACYP3A4TSHR
SCHEMBL13899355 0.76 PPARG (0.47) PPARGPPARALMNACYP3A4TSHR
SCHEMBL13899537 0.76 LMNA (0.43) PPARGPPARALMNACYP3A4TSHR
SCHEMBL13905955 0.75 PPARA (0.41) PPARGPPARA
SCHEMBL13899481 0.74 LMNA (0.46) PPARGPPARALMNACYP3A4TSHR
SCHEMBL13899509 0.74 LMNA (0.46) PPARGPPARALMNACYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507757-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-24 US disclosed