SCHEMBL8648481

SCHEMBL8648481

CCCCc1cccc2c1C(C(=O)N(CC(F)(F)F)N1CCC(NC(=O)c3cc(F)ccc3F)CC1)c1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 8/20 0.39
▸ CNR1 P21554 3/20 0.36
▸ CNR2 P34972 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ MCHR1 Q99705 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL8651970 0.88 SLC6A12 (0.36) CNR1CNR2MCHR1
SCHEMBL8485545 0.88 NPSR1 (0.40) CCR3SIGMAR1MCHR1
SCHEMBL8717987 0.87 CCR3 (0.44) CCR3CNR1CNR2HTR1ADRD2
SCHEMBL8654368 0.86 DRD2 (0.38) CCR3CNR1CNR2DRD2CYP3A4
SCHEMBL8484461 0.85 NPSR1 (0.39) CCR3SIGMAR1MCHR1
SCHEMBL8712541 0.85 CCR3 (0.44) CCR3HTR1ADRD2HTR7HTR6
SCHEMBL8665883 0.83 NPSR1 (0.37) CCR3DRD2MCHR1
SCHEMBL8483744 0.83 CCR3 (0.44) CCR3ALDH1A1HTR7SIGMAR1MCHR1
SCHEMBL8665520 0.83 CCR3 (0.42) CCR3HTR1ADRD2HTR7HTR6
SCHEMBL8713186 0.83 DRD2 (0.36) ALDH1A1DRD2MCHR1

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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