SCHEMBL8007171

SCHEMBL8007171

Oc1ccc(Cl)cc1C1CN(Cc2ccccc2)C[C@@H]1c1ccccc1Br

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.51
DRD3 P35462 3/20 0.51
DPP4 P27487 1/20 0.50
TBXA2R P21731 1/20 0.45
RORC P51449 3/20 0.42
FUCA1 P04066 2/20 0.40
MEN1 O00255 2/20 0.40
ALOX15 P16050 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SIGMAR1 Q99720 3/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CCR5 P51681 1/20 0.39
CARM1 Q86X55 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
SCHEMBL2004381 1.00 DRD2 (0.51) DRD2DRD3DPP4TBXA2RRORC
SCHEMBL2004384 1.00 DRD2 (0.51) DRD2DRD3DPP4TBXA2RRORC
SCHEMBL2004378 1.00 DRD2 (0.51) DRD2DRD3DPP4TBXA2RRORC
SCHEMBL3798157 0.90 CARM1 (0.43) DRD2DRD3DPP4MEN1KMT2A
SCHEMBL2006344 0.88 DRD2 (0.42) DRD2DRD3DPP4MEN1KMT2A
SCHEMBL2006342 0.88 DRD2 (0.42) DRD2DRD3DPP4MEN1KMT2A
SCHEMBL2006348 0.88 DRD2 (0.42) DRD2DRD3DPP4MEN1KMT2A
SCHEMBL8010511 0.88 DRD2 (0.42) DRD2DRD3DPP4MEN1KMT2A
SCHEMBL12413234 0.85 CARM1 (0.42) DRD2DRD3DPP4KMT2ACARM1
SCHEMBL2005531 0.83 DRD1 (0.50) DRD2DRD3ALOX15TSHRCYP3A4

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-2240492-B1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS ORGANON NV (NL) 2011-10-05 EP disclosed
WO-2009087058-A1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS N.V. ORGANON (NL) 2009-07-16 WO disclosed