SCHEMBL8713182

SCHEMBL8713182

CCCCc1c(N2CCC(NC(=O)Oc3ccccc3)CC2)ccc2c1C(C(=O)NCC(F)(F)F)c1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 1/20 0.38
▸ SKP1 P63208 1/20 0.38
▸ SKP2 Q13309 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ DRD2 P14416 3/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ CCR1 P32246 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ FAAH O00519 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
SCHEMBL8664872 0.96 SMPD2 (0.37) CKS1BSKP1SKP2ALDH1A1RAB9A
SCHEMBL8717984 0.88 CCR3 (0.42) POLBDRD2HTR1ADRD3
SCHEMBL8712539 0.86 CCR3 (0.42) POLBDRD2HTR1ADRD3
SCHEMBL8593680 0.85 POLB (0.42) ALDH1A1POLBDRD2DRD4DRD3
SCHEMBL8712881 0.84 POLB (0.35) POLBDRD2HTR1ADRD4DRD3
SCHEMBL8665881 0.84 DRD2 (0.37) POLBDRD2DRD4DRD3
SCHEMBL8665519 0.84 CCR3 (0.40) DRD2HTR1A
SCHEMBL8648478 0.83 CCNE1 (0.37) ALDH1A1POLBCNR1HTR2ADRD3
SCHEMBL8651966 0.83 SLC6A12 (0.36) POLBCNR1CNR2DRD2DRD4
SCHEMBL8666097 0.82 DRD2 (0.36) POLBDRD2DRD4DRD3

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-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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