SCHEMBL6985767

SCHEMBL6985767

O=C(NCCN1CCC(=C2c3ccccc3CCn3ccnc32)CC1)c1ccoc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.39
DRD2 P14416 2/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGDS O60760 2/20 0.37
SMYD2 Q9NRG4 1/20 0.37
HPGD P15428 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
OPRM1 P35372 1/20 0.37
APP P05067 1/20 0.36
NAMPT P43490 1/20 0.36
ABCB1 P08183 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
Fumaric Acid SCHEMBL9386205 0.95 DRD3 (0.37) DRD3DRD2NPC1TSHRMAPK1
Maleic Acid SCHEMBL9130981 0.95 DRD3 (0.37) DRD3DRD2NPC1TSHRMAPK1
Water SCHEMBL7165270 0.86 NPC1 (0.38) DRD3DRD2NPC1TSHRMAPK1
Water SCHEMBL6988199 0.85 HRH1 (0.51) SMYD2HPGDCD274
Oxalic Acid SCHEMBL7134474 0.84 DRD3 (0.35) DRD3HPGDSHPGDCD274NAMPT
SCHEMBL9131002 0.82 HRH1 (0.40) DRD3DRD2NPC1TSHRMAPK1
SCHEMBL6991964 0.80 HRH1 (0.38) DRD3DRD2NPC1TSHRMAPK1
Water SCHEMBL9131901 0.78 HRH1 (0.38) DRD3DRD2NPC1TSHRMAPK1
Water SCHEMBL9131896 0.78 HRH1 (0.38) DRD3DRD2NPC1TSHRMAPK1
SCHEMBL6991281 0.77 HRH1 (0.43) DRD3DRD2

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
EP-0588858-B1 IMIDAZO 2,1-b] 3]BENZAZEPINE DERIVATIVES, COMPOSITIONS AND METHOD OF USE JANSSEN PHARMACEUTICA NV (BE) 2003-09-17 EP disclosed
EP-0518435-A1 Imidazo[2,1-b][3]benzazepine derivatives, compositions and method of use JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-16 EP disclosed