SCHEMBL8713180

SCHEMBL8713180

CCCCN(CC(F)(F)F)C(=O)C1c2ccccc2-c2cccc(N3CCC(NC(=O)Oc4ccccc4)CC3)c21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 2/20 0.41
▸ SKP1 P63208 2/20 0.41
▸ SKP2 Q13309 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CNR1 P21554 2/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ MCHR1 Q99705 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
SCHEMBL8664869 0.95 SMPD3 (0.38) CKS1BSKP1SKP2
SCHEMBL8485533 0.89 NPSR1 (0.42) CKS1BSKP1SKP2CNR1CNR2
SCHEMBL8717983 0.88 CCR3 (0.43) ALDH1A1CNR1CNR2DRD2
SCHEMBL8484454 0.87 NPSR1 (0.42) CKS1BSKP1SKP2CNR1CNR2
SCHEMBL8712537 0.85 CCR3 (0.43) CNR1CNR2DRD2
SCHEMBL8712879 0.85 HTR1A (0.37) ALDH1A1DRD2
SCHEMBL8665880 0.85 UTS2R (0.39) CKS1BSKP1SKP2DRD2MCHR1
SCHEMBL8593677 0.83 ALDH1A1 (0.36) ALDH1A1RAB9ADRD2
SCHEMBL8665515 0.83 CCR3 (0.41) DRD2
SCHEMBL8648475 0.83 CCR3 (0.39) ALDH1A1CNR1CNR2DRD2MCHR1

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
Send feedback