SCHEMBL7694199

SCHEMBL7694199

O=C(NC1CCN(Cc2ccccc2)C1)c1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.85
DRD4 P21917 14/20 0.85
MCHR1 Q99705 2/20 0.72
HTR2A P28223 1/20 0.71
TMEM97 Q5BJF2 2/20 0.70
SIGMAR1 Q99720 2/20 0.70
SLC6A12 P48065 1/20 0.70
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C9 P11712 1/20 0.70
TSHR P16473 1/20 0.70
MAPK1 P28482 1/20 0.70
CYP2C19 P33261 1/20 0.70
NAMPT P43490 1/20 0.70

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
SCHEMBL7694198 1.00 DRD2 (0.85) DRD2DRD4MCHR1HTR2ATMEM97
SCHEMBL8706290 0.92 DRD2 (1.00) DRD2DRD4MCHR1HTR2ATMEM97
SCHEMBL8707354 0.92 DRD2 (1.00) DRD2DRD4MCHR1HTR2ATMEM97
SCHEMBL11555632 0.92 DRD2 (0.82) DRD2DRD4MCHR1HTR2ATMEM97
SCHEMBL694949 0.92 SIGMAR1 (0.82) DRD2DRD4MCHR1TMEM97SIGMAR1
SCHEMBL2900269 0.91 TMEM97 (0.86) DRD2DRD4MCHR1HTR2ATMEM97
SCHEMBL8236258 0.91 TMEM97 (0.86) DRD2DRD4MCHR1HTR2ATMEM97
SCHEMBL8738579 0.89 DRD2 (0.77) DRD2DRD4MCHR1HTR2A
SCHEMBL8709168 0.89 DRD2 (1.00) DRD2DRD4MCHR1HTR2ASIGMAR1
SCHEMBL8706273 0.89 DRD2 (0.89) DRD2DRD4HTR2ANAMPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55022699-A None JP disclosed
WO-2002028829-A2 PEPTIDE DEFORMYLASE INHIBITORS QUESTCOR PHARMACEUTICALS, INC. (US) 2002-04-11 WO disclosed
US-4197243-A ANTIPSYCHOTICS, STRONG CNS DEPRESSANTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1980-04-08 US disclosed
JP-S5522699-A NOVEL 3-AMINO-1-BENZYLPYRROLIDINE DERIVATIVE YAMANOUCHI PHARMACEUT CO LTD 1980-02-18 JP disclosed
US-4097487-A CNS DEPRESSANTS, ANTIPSYCHOTICS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1978-06-27 US disclosed