SCHEMBL4739588

SCHEMBL4739588

O=C(NCc1ccnc2ccccc12)c1cnc2cc(C(F)(F)F)c(F)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
HPGDS O60760 1/20 0.42
TACR1 P25103 1/20 0.41
PTGER4 P35408 1/20 0.41
PPARD Q03181 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
PSMD14 O00487 1/20 0.40
STAMBP O95630 1/20 0.40
EPHX2 P34913 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DGAT2 Q96PD7 1/20 0.39
FLT1 P17948 1/20 0.39
KDR P35968 1/20 0.39
PPARG P37231 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39

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
SCHEMBL4744236 0.89 ADORA2A (0.43) ADORA2AADORA1HPGDSTACR1PPARD
SCHEMBL14147888 0.84 TRPV1 (0.49) PSMD14STAMBPDGAT2ROCK2
SCHEMBL4787180 0.76 FLT1 (0.48) ADORA2AADORA1TACR1PTGER4PPARD
SCHEMBL14148289 0.74 TRPV1 (0.49) PSMD14STAMBPDGAT2ROCK2
SCHEMBL1645675 0.71 MGAM (0.47) EGLN1PSMD14VNN1
SCHEMBL269559 0.70 SMN1; SMN2 (0.49) ADORA2AADORA1HDAC3HDAC1HDAC2
SCHEMBL263858 0.70 SMN1; SMN2 (0.43) ADORA2AADORA1EGLN1DGAT2FLT1
SCHEMBL1645063 0.70 KIF11 (0.46) HPGDSHDAC3HDAC1HDAC2EGLN1
SCHEMBL5239743 0.69 VNN1 (0.44) KDRVNN1
SCHEMBL14147908 0.69 SCN9A (0.52) ADORA2AADORA1MEN1KMT2AFLT1

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
WO-2008090434-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLIC CARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-07-31 WO claimed
WO-2008090434-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLIC CARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-07-31 WO disclosed
WO-2008090434-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLIC CARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-07-31 WO disclosed