SCHEMBL4458269

SCHEMBL4458269

O=C(Nc1cccc(-c2cccs2)c1)N[C@H]1[C@@H]2CN(c3ccc(F)cc3F)C[C@@H]21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.47
AURKB Q96GD4 2/20 0.41
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
CNR1 P21554 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
DRD2 P14416 4/20 0.39
DRD4 P21917 4/20 0.39
HTR2A P28223 4/20 0.39
RAB9A P51151 5/20 0.39
NPC1 O15118 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
TP53 P04637 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL13783977 1.00 CCR3 (0.47) CCR3AURKBHDAC3HDAC1HDAC2
SCHEMBL4458275 1.00 CCR3 (0.47) CCR3AURKBHDAC3HDAC1HDAC2
SCHEMBL13783974 0.87 CCR3 (0.51) CCR3AURKBHDAC3HDAC1HDAC2
SCHEMBL13783971 0.84 CASR (0.41) CCR3CNR1ALDH1A1MAPTRAB9A
SCHEMBL4451072 0.84 CASR (0.41) CCR3CNR1ALDH1A1MAPTRAB9A
SCHEMBL4451883 0.84 CASR (0.41) CCR3CNR1ALDH1A1MAPTRAB9A
SCHEMBL4449093 0.82 ALDH1A1 (0.43) HDAC3HDAC1HDAC2KDM4EALDH1A1
SCHEMBL4449096 0.82 ALDH1A1 (0.43) HDAC3HDAC1HDAC2KDM4EALDH1A1
SCHEMBL13783959 0.82 ALDH1A1 (0.43) HDAC3HDAC1HDAC2KDM4EALDH1A1
SCHEMBL13783917 0.81 CNR1 (0.41) CCR3CNR1ALDH1A1RAB9ANPC1

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
WO-2009090548-A2 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-23 WO disclosed