SCHEMBL7072264

SCHEMBL7072264

O=C(O)Oc1cc2c(-c3cccs3)cccc2n1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 15/20 0.52
ABCB11 O95342 2/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
HTR2A P28223 1/20 0.40
FEN1 P39748 1/20 0.40

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
SCHEMBL6302409 0.85 CCR2 (0.72) CCR2ABCB11
SCHEMBL7076325 0.83 CCR2 (0.56) CCR2ABCB11ALDH1A1LMNACYP1A2
SCHEMBL7076059 0.83 CCR2 (0.68) CCR2ABCB11ALDH1A1LMNACYP1A2
SCHEMBL7077386 0.81 CCR2 (0.56) CCR2ABCB11ALDH1A1LMNACYP1A2
SCHEMBL7072260 0.80 CCR2 (0.59) CCR2ABCB11ALDH1A1LMNACYP1A2
SCHEMBL7080358 0.80 CCR2 (0.70) CCR2ABCB11ALDH1A1LMNACYP1A2
SCHEMBL7077403 0.80 CCR2 (0.70) CCR2ABCB11ALDH1A1LMNACYP1A2
SCHEMBL6303348 0.80 CCR2 (0.54) CCR2ABCB11ALDH1A1LMNAMAPT
SCHEMBL7072061 0.80 CCR2 (0.58) CCR2ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL7072428 0.80 CCR2 (0.53) CCR2ALDH1A1LMNACYP1A2CYP3A4

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
EP-1003504-B1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ASTRAZENECA AB (SE) 2003-07-02 EP claimed