SCHEMBL8653115

SCHEMBL8653115

CCCCc1c(N2CCC(NC(=O)c3ccccc3Oc3ccccc3)CC2)ccc2c1C(C(=O)NCC(F)(F)F)c1ccccc1S2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 3/20 0.43
▸ HTR7 P34969 2/20 0.34
▸ HPGDS O60760 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ KDM5A P29375 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SLC6A12 P48065 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CNR1 P21554 1/20 0.32

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
SCHEMBL8483686 0.89 CNR1 (0.37) CCR3MEN1KMT2APOLBNPSR1
SCHEMBL8717984 0.89 CCR3 (0.42) CCR3HTR7HPGDSHTR1ADRD2
SCHEMBL8712539 0.86 CCR3 (0.42) CCR3HTR7HPGDSHTR1ADRD2
SCHEMBL8665519 0.85 CCR3 (0.40) CCR3HTR7HPGDSHTR1ADRD2
SCHEMBL8665528 0.83 CCR3 (0.40) CCR3HTR7HPGDSHTR1ADRD2
SCHEMBL8653114 0.80 CCR3 (0.42) CCR3HTR7HPGDSHTR1ADRD2
SCHEMBL8653118 0.77 CCR3 (0.43) CCR3HTR7HPGDSHTR1ADRD2
SCHEMBL8662771 0.77 TSHR (0.33) CCR3ALDH1A1TSHR
SCHEMBL8481557 0.77 TSHR (0.31) ALDH1A1TSHR
SCHEMBL8482397 0.77 CCR3 (0.35) CCR3KDM5APOLBNPSR1ALDH1A1

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-5712279-A Inhibitors of microsomal triglyceride transfer protein and method BRISTOL-MYERS SQUIBB COMPANY (US) 1998-01-27 — — US disclosed
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