SCHEMBL8483689

SCHEMBL8483689

CCCCc1cccc2c1C(C(=O)N(CC(F)(F)F)N1CCC(NC(=O)c3ccccc3)CC1)c1ccccc1S2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.38
▸ POLB P06746 2/20 0.36
▸ CARM1 Q86X55 1/20 0.35
▸ PRMT6 Q96LA8 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ MCHR1 Q99705 4/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ CCR3 P51677 2/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ ADRA1B P35368 1/20 0.35
▸ SLC6A12 P48065 1/20 0.34
▸ TMEM97 Q5BJF2 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL8653118 0.89 CCR3 (0.43) NPSR1CNR1KMT2AMEN1CCR3
SCHEMBL8485545 0.89 NPSR1 (0.40) NPSR1POLBCARM1PRMT6KMT2A
SCHEMBL8484461 0.86 NPSR1 (0.39) NPSR1POLBCARM1PRMT6KMT2A
SCHEMBL8665883 0.84 NPSR1 (0.37) NPSR1POLBCARM1PRMT6KMT2A
SCHEMBL8666099 0.82 NPSR1 (0.36) NPSR1POLBCARM1PRMT6KMT2A
SCHEMBL8483744 0.81 CCR3 (0.44) NPSR1POLBKMT2AMCHR1MEN1
SCHEMBL8501239 0.81 NPSR1 (0.33) NPSR1POLBCARM1PRMT6CNR1
SCHEMBL8483684 0.80 NPSR1 (0.41) NPSR1CARM1PRMT6KMT2AMCHR1
SCHEMBL8501052 0.79 NPSR1 (0.33) NPSR1POLBCNR1
SCHEMBL8717987 0.78 CCR3 (0.44) CNR1KMT2AMEN1CCR3SLC6A12

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-5883099-A TREATMENT OF ATHERSCLEROSIS, PANCREATITIS OBESITY OR HYPERGLYCEMIA BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-16 — — US disclosed
US-5739135-A PREVENTING OR TREATING ATHEROSCLEROSIS, PANCREATITIS SECONDARY TO HYPERTRIGLYCERIDEMIA, HYPERGLYCEMIA, OBESITY BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-14 — — US disclosed
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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