SCHEMBL7079495

SCHEMBL7079495

COc1cc(OC)c2cc(C(=O)O)n(Cc3ccc(Cl)s3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.47
CCR9 P51686 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
RHEB Q15382 6/20 0.40
HRH2 P25021 1/20 0.40
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL3964056 0.83 F10 (0.47)
SCHEMBL6300529 0.80 CCR2 (0.49) CCR2CCR9RHEBTP53MAPT
SCHEMBL6303493 0.78 CCR2 (0.62) CCR2CCR9RHEBMAPT
SCHEMBL701444 0.77 GPR35 (0.46) CCR2CCR9RHEBTP53MAPT
SCHEMBL4209306 0.76 CCR9 (0.56) CCR2CCR9RHEB
SCHEMBL6300706 0.75 CCR9 (0.53) CCR2CCR9RHEB
SCHEMBL7076151 0.72 CCR2 (0.66) CCR2
SCHEMBL6300781 0.72 CCR2 (0.53) CCR2CCR9RHEB
SCHEMBL6221773 0.70 HSD17B10 (0.54) RHEB
SCHEMBL3962467 0.70 F10 (0.55) CCR2

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
EP-1003504-B1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ASTRAZENECA AB (SE) 2003-07-02 EP disclosed
US-6441004-B1 INDOLE DERIVATIVES AS ANTIINFLAMMATORY AGENTS ZENECA LIMITED (GB) 2002-08-27 US disclosed