SCHEMBL7716464

SCHEMBL7716464

Cc1cc2ccc(Cl)cc2c(Nc2ccc(C[C@](C)(Nc3c(N4[C@H](C)CC[C@@H]4C)c(=O)c3=O)C(=O)O)cc2)n1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
P2RX3 P56373 6/20 0.33
NPY5R Q15761 4/20 0.33
MDM2 Q00987 1/20 0.32
EHMT2 Q96KQ7 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PAK4 O96013 4/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7718441 0.91 ADRA2A (0.33) MAPTP2RX3MEN1KMT2A
SCHEMBL7710720 0.83 ITGB1 (0.42)
SCHEMBL7710717 0.83 ITGB1 (0.42)
SCHEMBL7710712 0.83 ITGB1 (0.42)
SCHEMBL7716460 0.80 ITGB1 (0.35) P2RX3
SCHEMBL7716161 0.79 MAPT (0.36) MAPTNPY5RNPC1SMN1; SMN2MEN1
SCHEMBL7716457 0.78 PAK4 (0.31) MDM2PAK4
SCHEMBL7710734 0.77 SLC2A1 (0.41) MAPTSMN1; SMN2KMT2A
SCHEMBL7264638 0.75 P2RX7 (0.30)
SCHEMBL7716156 0.74 ITGB1 (0.39)

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
US-6403608-B1 ANTIINFLAMMATORY AND IMMUNE DISORDERS CELLTECH R&D, LTD. (GB) 2002-06-11 US disclosed