SCHEMBL30954745

SCHEMBL30954745

CN1CC2(C1)OCc1ccc(N)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.42
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
RAD52 P43351 1/20 0.35
ADRA2C P18825 2/20 0.34
GAA P10253 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33
PTK2B Q14289 1/20 0.33
ESR2 Q92731 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32

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
SCHEMBL25866229 0.80 BRD4 (0.34) OPRD1MAPTKMT2A
SCHEMBL25867611 0.77 OPRD1 (0.39) OPRD1MAPTKDM4EGAACA12
SCHEMBL21788649 0.77 OPRD1 (0.45) OPRD1
SCHEMBL30954734 0.76 OPRD1 (0.35) OPRD1GAACA12CA1CA2
SCHEMBL30954736 0.76 OPRD1 (0.35) OPRD1GAACA12CA1CA2
Hydrochloric Acid SCHEMBL30954709 0.76 OPRD1 (0.44) OPRD1MAPTKDM4EGAACA12
SCHEMBL30954742 0.75 OPRD1 (0.43) OPRD1MAPTKDM4EGAACA12
SCHEMBL16675996 0.73 AVPR1A (0.38) OPRD1KDM4EGAAALDH1A1
SCHEMBL30648685 0.73 CA9 (0.38) OPRD1MAPTKDM4EGAACA12
SCHEMBL26640593 0.73 CA9 (0.38) OPRD1MAPTKDM4EGAACA12

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-2024125488-A1 AROMATIC AMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 浙江海正药业股份有限公司 2024-06-20 WO disclosed