SCHEMBL20622055

SCHEMBL20622055

O=C(I)NC1CCOc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 6/20 0.49
▸ CNR1 P21554 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ MAPK1 P28482 5/20 0.46
▸ BRD4 O60885 2/20 0.46
▸ CREBBP Q92793 2/20 0.46
▸ SSTR4 P31391 1/20 0.44
▸ XIAP P98170 1/20 0.43
▸ P2RX7 Q99572 1/20 0.41
▸ NTRK1 P04629 1/20 0.41

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
SCHEMBL4226632 0.87 TRPV1 (0.54) TRPV1CNR1CNR2MAPK1BRD4
SCHEMBL4226634 0.87 TRPV1 (0.54) TRPV1CNR1CNR2MAPK1BRD4
SCHEMBL26962614 0.85 TRPV1 (0.50) TRPV1CNR1CNR2MAPK1BRD4
SCHEMBL27125516 0.85 TRPV1 (0.50) TRPV1CNR1CNR2MAPK1BRD4
SCHEMBL31316828 0.84 TRPV1 (0.49) TRPV1CNR1CNR2MAPK1BRD4
SCHEMBL14452760 0.84 TRPV1 (0.49) TRPV1CNR1CNR2MAPK1BRD4
SCHEMBL599782 0.84 TRPV1 (0.49) TRPV1CNR1CNR2MAPK1BRD4
SCHEMBL803487 0.84 TRPV1 (0.49) TRPV1CNR1CNR2MAPK1BRD4
SCHEMBL14277888 0.84 TRPV1 (0.49) TRPV1CNR1CNR2MAPK1BRD4
SCHEMBL30563608 0.81 HTT (0.57) TRPV1CNR1CNR2BRD4CREBBP

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
WO-2019002132-A1 NEW AZAQUINOLINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2019-01-03 — — WO disclosed
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