SCHEMBL5849356

SCHEMBL5849356

COc1cc(C)c(-c2cc3c4c(c2C(C)(C)C)[C@@H]2CN(C(=O)O)CC[C@@H]2N4CC3)cc1F

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL5847121 0.84 CCR3 (0.35) CCR3
SCHEMBL5847619 0.84 CPS1 (0.37) CCR3
SCHEMBL5847913 0.83 ABCB1 (0.35) CCR3
SCHEMBL5849715 0.82 DRD1 (0.37) CCR3HCRTR1HCRTR2
SCHEMBL5418263 0.82 CCR3 (0.38) CCR3HCRTR1HCRTR2FFAR4
SCHEMBL5848064 0.80 DPP4 (0.36) CCR3
SCHEMBL5847854 0.79 HCRTR1 (0.36) CCR3HCRTR1HCRTR2
SCHEMBL5847800 0.79 HTR2A (0.44) CCR3HCRTR1HCRTR2
SCHEMBL5847193 0.79 CCR3 (0.35) CCR3FFAR4
SCHEMBL5847324 0.78 CCR3 (0.34) CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7081455-B2 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-25 US claimed
US-7081455-B2 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-25 US disclosed