SCHEMBL9870172

SCHEMBL9870172

O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1

nearest known ligand 0.90

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.78
KMT2A Q03164 2/20 0.78
MCHR1 Q99705 3/20 0.77
DRD4 P21917 4/20 0.74
SIGMAR1 Q99720 3/20 0.73
DRD2 P14416 1/20 0.72
TMEM97 Q5BJF2 2/20 0.71
SLC6A12 P48065 1/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2D6 P10635 1/20 0.71
CYP2C9 P11712 1/20 0.71
TSHR P16473 1/20 0.71
MAPK1 P28482 1/20 0.71
CYP2C19 P33261 1/20 0.71
POLB P06746 1/20 0.71
CCR2 P41597 2/20 0.69
KCNH2 Q12809 1/20 0.68

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
SCHEMBL9870566 0.96 MEN1 (0.73) MEN1KMT2AMCHR1DRD4SIGMAR1
SCHEMBL694949 0.92 SIGMAR1 (0.82) MEN1KMT2AMCHR1DRD4SIGMAR1
SCHEMBL9852229 0.90 SLC6A5 (0.75) MEN1KMT2AMCHR1DRD4SIGMAR1
SCHEMBL61848 0.89 TMEM97 (0.83) MEN1KMT2AMCHR1DRD4SIGMAR1
SCHEMBL9872559 0.85 DRD4 (0.78) MEN1KMT2AMCHR1DRD4SIGMAR1
SCHEMBL31736417 0.85 MCHR1 (0.77) MEN1KMT2AMCHR1DRD4SIGMAR1
SCHEMBL3590338 0.85 SIGMAR1 (0.73) MEN1KMT2AMCHR1DRD4SIGMAR1
SCHEMBL7218186 0.84 DRD4 (0.86) MEN1KMT2AMCHR1DRD4SIGMAR1
SCHEMBL2233466 0.84 KCNH2 (0.80) MEN1KMT2AMCHR1DRD4SIGMAR1
SCHEMBL8706523 0.84 DRD2 (1.00) DRD4DRD2CCR2

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
US-5028616-A Antiarrhythmia Agents G. D. SEARLE & CO. (US) 1991-07-02 US disclosed