SCHEMBL8484461

SCHEMBL8484461

CCCCCc1cccc2c1C(C(=O)N(CC(F)(F)F)N1CCC(NC(=O)c3ccccc3)CC1)c1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.39
▸ POLB P06746 2/20 0.37
▸ CARM1 Q86X55 1/20 0.36
▸ PRMT6 Q96LA8 1/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ MCHR1 Q99705 4/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ CCR3 P51677 2/20 0.36
▸ ADRA1D P25100 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ ADRA1B P35368 1/20 0.35
▸ SLC6A12 P48065 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SLC6A5 Q9Y345 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
SCHEMBL8485545 0.98 NPSR1 (0.40) NPSR1POLBCARM1PRMT6KMT2A
SCHEMBL8666099 0.95 NPSR1 (0.36) NPSR1POLBCARM1PRMT6KMT2A
SCHEMBL8665883 0.93 NPSR1 (0.37) NPSR1POLBCARM1PRMT6KMT2A
SCHEMBL8501052 0.92 NPSR1 (0.33) NPSR1POLBGAA
SCHEMBL8501239 0.90 NPSR1 (0.33) NPSR1POLBCARM1PRMT6KMT2A
SCHEMBL8712541 0.89 CCR3 (0.44) NPSR1KMT2AMEN1CCR3SLC6A12
SCHEMBL8483689 0.86 NPSR1 (0.38) NPSR1POLBCARM1PRMT6KMT2A
SCHEMBL8713186 0.86 DRD2 (0.36) KMT2AMCHR1MEN1
SCHEMBL8717987 0.86 CCR3 (0.44) KMT2AMEN1CCR3SLC6A12
SCHEMBL8648481 0.85 CCR3 (0.39) MCHR1CCR3SIGMAR1

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 2 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
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