SCHEMBL8480060

SCHEMBL8480060

CCCCc1c(F)c(N2CCC(NC(=O)c3ccccc3)CC2)cc2c1C(C(=O)NCC(F)(F)F)c1cc(F)ccc1-2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 5/20 0.40
▸ MCHR1 Q99705 3/20 0.40
▸ SLC6A12 P48065 1/20 0.38
▸ TMEM97 Q5BJF2 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ POLB P06746 1/20 0.35
▸ HTR7 P34969 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ CCNE1 P24864 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL8665214 0.96 MCHR1 (0.37) CCR3MCHR1SLC6A12TMEM97SIGMAR1
SCHEMBL8500944 0.93 MCHR1 (0.34) CCR3MCHR1SLC6A12TMEM97SIGMAR1
SCHEMBL8679135 0.85 L3MBTL1 (0.36) POLBKMT2A
SCHEMBL8717803 0.84 CCR3 (0.40) CCR3MCHR1SLC6A12TMEM97SIGMAR1
SCHEMBL8666046 0.82 L3MBTL1 (0.34) KMT2A
SCHEMBL8479387 0.82 RORC (0.36) NPSR1
SCHEMBL8668034 0.82 CCR3 (0.37) CCR3MCHR1SLC6A12TMEM97SIGMAR1
SCHEMBL8665881 0.82 DRD2 (0.37) MCHR1POLBNPSR1KMT2A
SCHEMBL8648478 0.82 CCNE1 (0.37) CCR3POLBCCNE1CDK2MEN1
SCHEMBL8504367 0.81 KCNA5 (0.32) KMT2A

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-H1729-H Method for preparing compounds employing solid phase synthesis and novel linker-resin BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-05 — — 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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