SCHEMBL30164232

SCHEMBL30164232

N#Cc1ccccc1N1CCC(CNC(=O)O)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.56
DRD4 P21917 6/20 0.54
DRD2 P14416 5/20 0.54
ADAM17 P78536 4/20 0.52
DRD3 P35462 4/20 0.50
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
HTR2A P28223 1/20 0.47
THPO P40225 1/20 0.47
HIF1A Q16665 1/20 0.47
GRM5 P41594 1/20 0.45
GMNN O75496 1/20 0.45
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.45
PMP22 Q01453 1/20 0.45
KDM1A O60341 1/20 0.44

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
SCHEMBL8213531 0.85 ADAM17 (0.65) CHRM4DRD4DRD2ADAM17DRD3
SCHEMBL24986986 0.83 CKS1B (0.56) CHRM4DRD4DRD2ADAM17DRD3
SCHEMBL13622664 0.82 FFAR4 (0.56) CHRM4DRD4DRD2DRD3GRM5
SCHEMBL1727869 0.82 KDM4E (0.62) DRD4DRD2KDM4EALDH1A1HTR2A
SCHEMBL8009381 0.81 CHRM4 (0.49) CHRM4DRD4DRD2ADAM17CYP2D6
SCHEMBL2559433 0.80 CHRM4 (0.57) CHRM4DRD4DRD2ADAM17DRD3
SCHEMBL31042536 0.80 CHRM4 (0.57) CHRM4DRD4DRD2ADAM17DRD3
SCHEMBL31042527 0.80 DRD4 (0.51) CHRM4DRD4DRD2DRD3KDM4E
SCHEMBL8221362 0.79 ADAM17 (0.66) CHRM4DRD4DRD2ADAM17DRD3
SCHEMBL7520833 0.79 CHRM4 (0.49) CHRM4DRD4DRD2ADAM17DRD3

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-4377307-A1 COMPOUNDS FOR THE TREATMENT OF PAIN, IN PARTICULAR NEUROPATHIC PAIN, AND/OR OTHER DISEASES OR DISORDERS THAT ARE ASSOCIATED WITH AT2R AND/OR AT2R MEDIATED SIGNALING Confo Therapeutics N.V. (BE) 2024-06-05 EP disclosed
WO-2023006893-A1 COMPOUNDS FOR THE TREATMENT OF PAIN, IN PARTICULAR NEUROPATHIC PAIN, AND/OR OTHER DISEASES OR DISORDERS THAT ARE ASSOCIATED WITH AT2R AND/OR AT2R MEDIATED SIGNALING CONFO THERAPEUTICS N.V. (BE) 2023-02-02 WO disclosed