SCHEMBL8426178

SCHEMBL8426178

O=C(NCCCN1CCc2ccccc2C1)c1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccccc3)[nH]c2=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.63
DRD3 P35462 5/20 0.63
TMEM97 Q5BJF2 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
ACKR3 P25106 1/20 0.52
LMNA P02545 1/20 0.50
OPRM1 P35372 1/20 0.48
PRMT5 O14744 4/20 0.48
WDR77 Q9BQA1 3/20 0.48
MAPT P10636 2/20 0.47
HPGD P15428 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTR1A P08908 1/20 0.47
HTR2A P28223 1/20 0.47
SLC6A4 P31645 1/20 0.47
HTR7 P34969 1/20 0.47
HRH1 P35367 1/20 0.47

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
SCHEMBL8426184 1.00 DRD2 (0.63) DRD2DRD3TMEM97SIGMAR1ACKR3
SCHEMBL8426019 0.97 DRD3 (0.67) DRD2DRD3TMEM97SIGMAR1ACKR3
SCHEMBL8426018 0.97 DRD3 (0.67) DRD2DRD3TMEM97SIGMAR1ACKR3
SCHEMBL8425898 0.94 DRD2 (0.57) DRD2DRD3TMEM97SIGMAR1LMNA
SCHEMBL8425893 0.94 DRD2 (0.57) DRD2DRD3TMEM97SIGMAR1LMNA
SCHEMBL9263247 0.85 PRMT5 (0.59) DRD2DRD3PRMT5WDR77CYP1A2
SCHEMBL9263228 0.85 PRMT5 (0.59) DRD2DRD3PRMT5WDR77CYP1A2
SCHEMBL8333005 0.84 DRD2 (0.50) DRD2DRD3SIGMAR1LMNAOPRM1
SCHEMBL8333009 0.84 DRD2 (0.50) DRD2DRD3SIGMAR1LMNAOPRM1
SCHEMBL8428415 0.84 DRD3 (0.53) DRD2DRD3LMNAPRMT5WDR77

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
US-5891877-A INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR XENOVA LIMITED (GB) 1999-04-06 US disclosed
WO-1995021832-A1 PHARMACEUTICAL PIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1995-08-17 WO disclosed