SCHEMBL8968213

SCHEMBL8968213

CC(C)(C)c1ccc(C#N)cc1NC(=O)Nc1ccc2c(c1)CN(Cc1ccccc1)C2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 8/20 0.47
AR P10275 1/20 0.43
NAMPT P43490 4/20 0.42
CXCR1 P25024 1/20 0.42
CXCR2 P25025 1/20 0.42
ABCB1 P08183 1/20 0.41
P2RY1 P47900 1/20 0.41
FAAH O00519 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PRKAA2 P54646 1/20 0.41

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
SCHEMBL8968160 0.78 CXCR2 (0.65) CXCR1CXCR2P2RY1ALDH1A1
SCHEMBL8970592 0.77 CXCR1 (0.47) CCR3CXCR1CXCR2ALDH1A1
SCHEMBL8968156 0.74 GAA (0.49) CXCR1CXCR2ALDH1A1
SCHEMBL9757428 0.74 MEN1 (0.56) NAMPTABCB1ALDH1A1
SCHEMBL8968747 0.70 CXCR1 (0.49) NAMPTCXCR1CXCR2ALDH1A1
SCHEMBL8970501 0.69 CXCR1 (0.45) ARCXCR1CXCR2P2RY1ALDH1A1
SCHEMBL8968218 0.69 CYP11B1 (0.54) CXCR1CXCR2ALDH1A1
SCHEMBL19035635 0.68 DRD3 (0.60) ALDH1A1
SCHEMBL8120677 0.67 SIGMAR1 (0.52) ABCB1ALDH1A1
SCHEMBL8970479 0.67 ALOX12 (0.68) ALDH1A1

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
EP-0656350-A1 Biaryl urea and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1995-06-07 EP claimed
US-5547966-A Aryl urea and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-20 US disclosed
EP-0656350-A1 Biaryl urea and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1995-06-07 EP disclosed