SCHEMBL29232157

SCHEMBL29232157

CC(C)(C)OC(=O)N1CCN(Cc2cccnn2)CC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
F2RL1 P55085 2/20 0.35
POLB P06746 1/20 0.35
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
SPR P35270 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
PARP1 P09874 1/20 0.33
DTYMK P23919 1/20 0.33
CCNK O75909 1/20 0.33

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
SCHEMBL30164149 1.00 OPRD1 (0.35) OPRD1OPRK1F2RL1POLBNR1H2
SCHEMBL30918528 0.80 PARP1 (0.48) OPRD1OPRK1POLBKDM4EALDH1A1
SCHEMBL29232324 0.80 PARP1 (0.48) OPRD1OPRK1POLBKDM4EALDH1A1
SCHEMBL14813528 0.79 ALDH1A1 (0.45) OPRD1OPRK1NR1H2NR1H3ALDH1A1
SCHEMBL4494038 0.76 SMN1; SMN2 (0.51) POLBKDM4EALDH1A1
SCHEMBL4513476 0.73 ALDH1A1 (0.41) OPRD1OPRK1NR1H2NR1H3KDM4E
SCHEMBL18291493 0.73 GPR119 (0.38) OPRD1OPRK1NR1H2SPRGPR119
SCHEMBL31114254 0.73 POLB (0.41) OPRD1OPRK1POLBJAK2JAK1
SCHEMBL21150506 0.73 CTSK (0.39) F2RL1NR1H2NR1H3ALDH1A1CHRM2
SCHEMBL20305061 0.72 HDAC1 (0.53) POLBKDM4EALDH1A1

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-118159530-A Compounds for the treatment of pain, in particular neuropathic pain and/or other diseases or disorders associated with AT2R and/or AT2R mediated signalling 康福治疗有限公司 2024-06-07 CN disclosed