SCHEMBL22454626

SCHEMBL22454626

CSCC(=O)N[C@H]1CCOc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.50
▸ BDKRB1 P46663 1/20 0.46
▸ CNR1 P21554 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ TRPV1 Q8NER1 5/20 0.44
▸ P2RX7 Q99572 2/20 0.44
▸ BRD4 O60885 2/20 0.43
▸ CREBBP Q92793 2/20 0.43

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
SCHEMBL4861089 0.82 ALDH1A1 (0.58) BDKRB1CNR1CNR2TRPV1P2RX7
SCHEMBL600126 0.81 DRD2 (0.49) BDKRB1CNR1CNR2TRPV1P2RX7
SCHEMBL600125 0.81 DRD2 (0.49) BDKRB1CNR1CNR2TRPV1P2RX7
SCHEMBL14277888 0.80 TRPV1 (0.49) CNR1CNR2TRPV1BRD4CREBBP
SCHEMBL14452760 0.80 TRPV1 (0.49) CNR1CNR2TRPV1BRD4CREBBP
SCHEMBL803487 0.80 TRPV1 (0.49) CNR1CNR2TRPV1BRD4CREBBP
SCHEMBL599782 0.80 TRPV1 (0.49) CNR1CNR2TRPV1BRD4CREBBP
SCHEMBL4858955 0.80 CNR1 (0.45) BDKRB1CNR1CNR2TRPV1P2RX7
SCHEMBL4226634 0.79 TRPV1 (0.54) CNR1CNR2TRPV1BRD4CREBBP
SCHEMBL4226632 0.79 TRPV1 (0.54) CNR1CNR2TRPV1BRD4CREBBP

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-2020191091-A1 ANTHELMINTIC AZA-BENZOTHIOPHENE AND AZA-BENZOFURAN COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2020-09-24 — — WO disclosed
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