SCHEMBL7860757

SCHEMBL7860757

CC(C)NC(=O)Nc1ccc(C#N)cc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 6/20 0.52
▸ CCR2 P41597 1/20 0.46
▸ CXCR1 P25024 1/20 0.44
▸ CXCR2 P25025 1/20 0.44
▸ ACLY P53396 2/20 0.44
▸ GPR27 Q9NS67 2/20 0.43
▸ AVPR2 P30518 1/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ METAP2 P50579 1/20 0.43
▸ KAT6A Q92794 2/20 0.42
▸ SLC22A12 Q96S37 1/20 0.42

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
SCHEMBL7487824 0.84 TBXA2R (0.50) TBXA2RCCR2CXCR1CXCR2ACLY
SCHEMBL3709166 0.82 CXCR2 (0.63) CCR2CXCR1CXCR2GPR27AVPR2
SCHEMBL7940030 0.82 HDAC1 (0.50) CCR2CXCR1CXCR2ACLYGPR27
SCHEMBL7490402 0.82 GPR27 (0.51) CCR2CXCR1CXCR2GPR27AVPR2
SCHEMBL7496445 0.82 ACLY (0.52) CCR2CXCR1CXCR2ACLYGPR27
SCHEMBL7553684 0.81 MEN1 (0.57) CCR2ACLYKMT2AMEN1
SCHEMBL7589336 0.81 SLC22A12 (0.54) CCR2ACLYKAT6ASLC22A12
SCHEMBL7853764 0.81 NAMPT (0.50) CCR2CXCR1CXCR2
SCHEMBL7493701 0.81 STAT3 (0.51) CCR2CXCR1CXCR2ACLYGPR27
SCHEMBL8684465 0.80 CXCR1 (0.43) CCR2CXCR1CXCR2ACLYGPR27

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912505-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2001-10-24 — — EP disclosed
US-6133319-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-10-17 — — US disclosed
EP-0912505-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-05-06 — — EP disclosed
WO-1997049680-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-31 — — WO disclosed
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