SCHEMBL8665477

SCHEMBL8665477

O=CNCCN(CC(F)(F)F)C(=O)C1c2ccccc2-c2cccc(N3CCC(NC(=O)c4ccccc4)C3)c21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 7/20 0.37
▸ DRD4 P21917 7/20 0.37
▸ UTS2R Q9UKP6 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MCHR1 Q99705 4/20 0.35
▸ SCN1A P35498 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ CTSL P07711 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ CARM1 Q86X55 1/20 0.35
▸ PRMT6 Q96LA8 1/20 0.35
▸ CCR3 P51677 2/20 0.35
▸ AKT1 P31749 1/20 0.34

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
SCHEMBL8717870 0.95 NPSR1 (0.38) DRD2DRD4NPSR1MCHR1SCN1A
SCHEMBL8666998 0.89 CCR3 (0.40) DRD2CCR3
SCHEMBL8665880 0.89 UTS2R (0.39) DRD2DRD4UTS2RNPSR1MCHR1
SCHEMBL8666092 0.89 UTS2R (0.39) DRD2DRD4UTS2RNPSR1MCHR1
SCHEMBL8524381 0.85 CCR3 (0.42) DRD2NPSR1CCR3
SCHEMBL8485533 0.84 NPSR1 (0.42) DRD2UTS2RNPSR1MCHR1SCN1A
SCHEMBL8484454 0.84 NPSR1 (0.42) DRD2UTS2RNPSR1MCHR1SCN1A
SCHEMBL8501233 0.83 NPSR1 (0.36) DRD2DRD4UTS2RNPSR1SCN9A
SCHEMBL8501048 0.82 NPSR1 (0.35) UTS2RNPSR1SCN9A
SCHEMBL8669685 0.80 NPSR1 (0.42) DRD2DRD4UTS2RNPSR1CTSL

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-5827875-A PYRROLIDINE DERIVATIVES; ANTIATHEROSCLEROSIS AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-10-27 — — US disclosed
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