SCHEMBL30428359

SCHEMBL30428359

Cn1cc(-c2ccc(Cc3cc(C(=O)O)nc4c3OCC4)cn2)cn1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.49
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
STING1 Q86WV6 1/20 0.40
GRM2 Q14416 5/20 0.39
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
MET P08581 2/20 0.37
CHEK1 O14757 1/20 0.37
CSF1R P07333 1/20 0.37

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
SCHEMBL21873400 1.00 CHRM1 (0.49) CHRM1CYP11B1CYP11B2STING1GRM2
SCHEMBL30428197 0.90 CHRM1 (0.49) CHRM1CYP11B1CYP11B2STING1GRM2
SCHEMBL21873365 0.90 CHRM1 (0.49) CHRM1CYP11B1CYP11B2STING1GRM2
SCHEMBL21873501 0.89 CHRM1 (0.45) CHRM1GRM2PIM1PIM2
SCHEMBL21873416 0.86 CHRM1 (0.45) CHRM1
SCHEMBL30427806 0.86 CHRM1 (0.45) CHRM1
SCHEMBL21935412 0.85 CHRM1 (0.71) CHRM1
SCHEMBL21935673 0.85 CHRM1 (0.62) CHRM1
SCHEMBL21873404 0.83 CHRM1 (0.62) CHRM1
SCHEMBL31668928 0.83 CHRM1 (0.62) CHRM1

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-110709401-B Heterocyclic compounds 武田药品工业株式会社 2023-06-13 CN disclosed