SCHEMBL4003576

SCHEMBL4003576

COc1cccc(C(=O)NC2CCCN(c3ccccc3)C2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
TSHR P16473 1/20 0.59
PPARD Q03181 4/20 0.59
PPARA Q07869 4/20 0.59
GRM5 P41594 1/20 0.57
DRD4 P21917 1/20 0.57
MCHR1 Q99705 4/20 0.56
PKM P14618 2/20 0.56
QSOX1 O00391 1/20 0.56
NPC1 O15118 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPK1 P28482 1/20 0.56
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
GFER P55789 1/20 0.53
USP30 Q70CQ3 1/20 0.53
PPARG P37231 1/20 0.52

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
SCHEMBL4003572 1.00 ALDH1A1 (0.59) ALDH1A1TSHRPPARDPPARAGRM5
SCHEMBL4006830 0.88 PPARD (0.59) ALDH1A1PPARDPPARAGRM5PKM
SCHEMBL4006837 0.88 PPARD (0.59) ALDH1A1PPARDPPARAGRM5PKM
SCHEMBL25308159 0.85 MTNR1A (0.64) PPARDPPARANPC1RAB9ASMN1; SMN2
SCHEMBL10212211 0.84 ALDH1A1 (0.64) ALDH1A1TSHRGRM5DRD4MCHR1
SCHEMBL4005581 0.82 USP30 (0.61) PPARDPPARAPKMNPC1USP30
SCHEMBL4005574 0.82 USP30 (0.61) PPARDPPARAPKMNPC1USP30
SCHEMBL1667825 0.81 RAB9A (0.73) ALDH1A1TSHRGRM5PKMNPC1
SCHEMBL11241115 0.80 RAB9A (0.75) ALDH1A1TSHRGRM5PKMNPC1
SCHEMBL29531655 0.80 ALDH1A1 (0.64) ALDH1A1TSHRGRM5MCHR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP disclosed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP disclosed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO disclosed