SCHEMBL8651970

SCHEMBL8651970

CCCCc1cccc2c1C(C(=O)N(CC(F)(F)F)N1CCC(NC(=O)c3cc(Cl)ccc3C)CC1)c1ccccc1-2

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC6A12 P48065 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ DRD4 P21917 3/20 0.35
▸ MCHR1 Q99705 5/20 0.34
▸ CNR1 P21554 3/20 0.33
▸ CNR2 P34972 3/20 0.33
▸ CRHR1 P34998 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
SCHEMBL8654368 0.91 DRD2 (0.38) SLC6A12DRD4CNR1CNR2
SCHEMBL8648481 0.88 CCR3 (0.39) MCHR1CNR1CNR2
SCHEMBL8485545 0.87 NPSR1 (0.40) SLC6A12POLBMCHR1
SCHEMBL8484461 0.85 NPSR1 (0.39) SLC6A12POLBMCHR1
SCHEMBL8717987 0.85 CCR3 (0.44) SLC6A12DRD4CNR1CNR2
SCHEMBL8712541 0.83 CCR3 (0.44) SLC6A12DRD4
SCHEMBL8665883 0.83 NPSR1 (0.37) POLBDRD4MCHR1
SCHEMBL8713186 0.82 DRD2 (0.36) MCHR1
SCHEMBL8651963 0.81 CNR1 (0.40) SLC6A12POLBDRD4CNR1CNR2
SCHEMBL8665520 0.81 CCR3 (0.42) SLC6A12

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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