SCHEMBL30824231

SCHEMBL30824231

O=C(N[C@H]1CCOc2ccccc21)c1cnc2c(-c3cccc(Cl)c3Cl)cncc2c1Cl

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 4/20 0.41
▸ TRPV1 Q8NER1 1/20 0.40
▸ BRD4 O60885 2/20 0.40
▸ CREBBP Q92793 2/20 0.40
▸ MAPK1 P28482 4/20 0.38
▸ TAS1R3 Q7RTX0 5/20 0.37
▸ TAS1R1 Q7RTX1 5/20 0.37
▸ TAS1R2 Q8TE23 5/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ KDM6B O15054 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35

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
SCHEMBL20600366 1.00 P2RX7 (0.41) P2RX7TRPV1BRD4CREBBPMAPK1
SCHEMBL29438283 0.90 BRD4 (0.39) P2RX7TRPV1BRD4CREBBPMAPK1
SCHEMBL20600344 0.90 BRD4 (0.39) P2RX7TRPV1BRD4CREBBPMAPK1
SCHEMBL20600383 0.88 CNR2 (0.38) P2RX7TRPV1BRD4CREBBPALDH1A1
SCHEMBL29438254 0.88 CNR2 (0.38) P2RX7TRPV1BRD4CREBBPALDH1A1
SCHEMBL20600363 0.86 MAPK1 (0.40) P2RX7TRPV1BRD4CREBBPMAPK1
SCHEMBL30824215 0.86 MAPK1 (0.40) P2RX7TRPV1BRD4CREBBPMAPK1
SCHEMBL20621847 0.86 P2RX7 (0.41) P2RX7TRPV1BRD4CREBBPMAPK1
SCHEMBL20600149 0.86 P2RX7 (0.41) P2RX7TRPV1BRD4CREBBPMAPK1
SCHEMBL30824229 0.86 P2RX7 (0.41) P2RX7TRPV1BRD4CREBBPMAPK1

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
CN-110770227-B Novel azaquinoline derivatives 拜耳动物保健有限责任公司 2024-03-01 — — CN disclosed
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