SCHEMBL7239441

SCHEMBL7239441

O=C(NC1CCN(Cc2ccccc2)CC1)c1ccccc1-c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 3/20 0.72
SIGMAR1 Q99720 3/20 0.72
POLB P06746 1/20 0.72
DRD4 P21917 1/20 0.69
GAA P10253 1/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
SLC6A12 P48065 4/20 0.64
ALDH1A1 P00352 1/20 0.64
LMNA P02545 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
TMEM97 Q5BJF2 1/20 0.61
MCHR1 Q99705 1/20 0.61

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
SCHEMBL8706525 0.93 CCR3 (0.73) CCR3SIGMAR1POLBDRD4
SCHEMBL13580486 0.91 CCR3 (0.67) CCR3SIGMAR1POLBDRD4MEN1
SCHEMBL3731091 0.89 DRD4 (0.68) CCR3SIGMAR1POLBDRD4MEN1
SCHEMBL6715786 0.86 CCR3 (0.62) CCR3SIGMAR1POLBDRD4MEN1
SCHEMBL8706275 0.86 DRD2 (0.65) CCR3SIGMAR1POLBDRD4
SCHEMBL8706527 0.86 DRD4 (0.74) CCR3POLBDRD4SLC6A12
SCHEMBL8711089 0.85 CCR3 (0.75) CCR3SIGMAR1POLBDRD4SLC6A12
SCHEMBL18844432 0.84 CCR3 (1.00) CCR3MCHR1
SCHEMBL13841347 0.84 MLNR (0.56) CCR3SIGMAR1POLBDRD4GAA
SCHEMBL8712704 0.84 DRD2 (0.76) CCR3SIGMAR1POLBDRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6617325-B1 Inhibitors of the microsomal triglyceride-transfer protein BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-09-09 US disclosed
WO-1998037064-A1 BENZAMIDES HAVING DOPAMINE D4 RECEPTOR AFFINITY HOECHST MARION ROUSSEL, INC. (US) 1998-08-27 WO disclosed
US-5028616-A Antiarrhythmia Agents G. D. SEARLE & CO. (US) 1991-07-02 US disclosed