SCHEMBL8186342

SCHEMBL8186342

O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NNc1ccccn1)c1cccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 10/20 0.61
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
GAA P10253 2/20 0.43
CTSL P07711 2/20 0.42
CTSB P07858 2/20 0.42
CTSS P25774 2/20 0.42
CTSV O60911 1/20 0.41
BACE1 P56817 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
SCHEMBL8189552 0.86 CCR3 (0.59) CCR3KMT2AMAPTGAACTSL
SCHEMBL8173772 0.82 CCR3 (0.58) CCR3CTSLCTSBCTSSCTSV
SCHEMBL8194664 0.81 TP53 (0.44) CCR3MEN1KMT2ALMNAMAPT
SCHEMBL8195128 0.81 CCR3 (0.55) CCR3GAACTSLCTSBCTSS
SCHEMBL8195130 0.81 CCR3 (0.55) CCR3GAACTSLCTSBCTSS
SCHEMBL8014171 0.81 CCR3 (0.66) CCR3MEN1KMT2ACTSB
SCHEMBL7608481 0.81 CCR3 (0.66) CCR3MEN1KMT2ACTSB
SCHEMBL8186345 0.80 CCR3 (0.46) CCR3MEN1KMT2ALMNAMAPT
SCHEMBL8192895 0.79 CCR3 (0.59) CCR3MEN1KMT2AMAPTCRHBP
SCHEMBL8185569 0.79 CCR3 (0.58) CCR3MEN1KMT2ALMNAMAPT

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
WO-2000027843-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-18 WO claimed
WO-2000027843-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-18 WO disclosed