SCHEMBL29620872

SCHEMBL29620872

Cn1nccc1-c1ccc(C(F)(F)F)cn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
CYP1A2 P05177 1/20 0.46
METAP2 P50579 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 1/20 0.44
OXTR P30559 1/20 0.40
AVPR1A P37288 1/20 0.40
PDE2A O00408 9/20 0.40
KIF11 P52732 1/20 0.38
COMT P21964 1/20 0.38
CYP2D6 P10635 1/20 0.37
PORCN Q9H237 1/20 0.37
SCN9A Q15858 1/20 0.37
CASP3 P42574 1/20 0.36

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
SCHEMBL14167514 1.00 CYP11B1 (0.46) CYP11B1CYP11B2CYP1A2METAP2NPSR1
SCHEMBL20449134 0.77 CYP1A2 (0.46) CYP11B1CYP11B2CYP1A2METAP2NPSR1
SCHEMBL14938229 0.76 CYP1A2 (0.49) CYP1A2METAP2OXTRAVPR1AKIF11
SCHEMBL30551409 0.76 CYP11B1 (0.57) CYP11B1CYP11B2CYP1A2METAP2KDM4E
SCHEMBL25322831 0.76 CYP11B1 (0.57) CYP11B1CYP11B2CYP1A2METAP2KDM4E
SCHEMBL14762177 0.75 CYP11B2 (0.44) CYP11B1CYP11B2CYP1A2METAP2COMT
SCHEMBL16201537 0.75 CYP11B1 (0.49) CYP11B1CYP11B2CYP1A2COMTCYP2D6
SCHEMBL21258382 0.75 CYP11B1 (0.49) CYP11B1CYP11B2CYP1A2PDE2ACOMT
SCHEMBL29454964 0.74 KDM4E (0.44) CYP1A2NPSR1KDM4EPDE2AKIF11
SCHEMBL29595709 0.74 NPSR1 (0.53) NPSR1KDM4EKIF11CASP3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114450281-B Inhibitor compounds 辛塞拉治疗私人有限公司 2024-08-16 CN disclosed
EP-4003986-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-06-01 EP disclosed
CN-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 CN disclosed