SCHEMBL20154267

SCHEMBL20154267

O=C(NC1CCOc2ccccc21)c1cnc2c(-c3cccc(Cl)c3Cl)cccc2c1N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 7/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ TRPV1 Q8NER1 2/20 0.39
▸ PKM P14618 1/20 0.38
▸ P2RX7 Q99572 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ THRB P10828 1/20 0.37
▸ BRD4 O60885 2/20 0.37
▸ CREBBP Q92793 2/20 0.37
▸ PAK1 Q13153 1/20 0.37

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
SCHEMBL20143007 1.00 CNR2 (0.39) CNR2CNR1TRPV1PKMP2RX7
SCHEMBL30071194 1.00 CNR2 (0.39) CNR2CNR1TRPV1PKMP2RX7
SCHEMBL29438254 0.93 CNR2 (0.38) CNR2CNR1TRPV1PKMP2RX7
SCHEMBL20600383 0.93 CNR2 (0.38) CNR2CNR1TRPV1PKMP2RX7
SCHEMBL21875798 0.91 P2RX7 (0.38) CNR2CNR1TRPV1PKMP2RX7
SCHEMBL20621805 0.91 P2RX7 (0.38) CNR2CNR1TRPV1PKMP2RX7
SCHEMBL29438262 0.91 P2RX7 (0.38) CNR2CNR1TRPV1PKMP2RX7
SCHEMBL20600069 0.91 P2RX7 (0.39) CNR2CNR1TRPV1P2RX7MAPK1
SCHEMBL29438334 0.91 P2RX7 (0.39) CNR2CNR1TRPV1P2RX7MAPK1
SCHEMBL23505822 0.90 PKM (0.39) CNR2CNR1TRPV1PKMP2RX7

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-3538512-B1 NEW ANTHELMINTIC QUINOLINE-3-CARBOXAMIDE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2021-06-16 — — EP disclosed
WO-2018087036-A1 NEW ANTHELMINTIC QUINOLINE-3-CARBOXAMIDE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2018-05-17 — — WO disclosed
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