SCHEMBL30242535

SCHEMBL30242535

CN1CCc2cc(F)ccc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.56
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
SRD5A1 P18405 1/20 0.50
AOC3 Q16853 2/20 0.49
HRH3 Q9Y5N1 6/20 0.48
DRD2 P14416 2/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
PRF1 P14222 1/20 0.45
OPRD1 P41143 1/20 0.44
NOTUM Q6P988 1/20 0.44
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.44
KCNH2 Q12809 1/20 0.43

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
SCHEMBL1507192 1.00 GRM5 (0.56) GRM5MEN1KMT2ASRD5A1AOC3
SCHEMBL30609592 0.86 DRD2 (0.53) GRM5MEN1KMT2ADRD2
SCHEMBL4126390 0.84 SRD5A1 (0.43) GRM5MEN1KMT2ASRD5A1AOC3
SCHEMBL4126388 0.84 SRD5A1 (0.43) GRM5MEN1KMT2ASRD5A1AOC3
SCHEMBL17519979 0.82 UGCG (0.48) SRD5A1PRF1
SCHEMBL18053937 0.81 GRM5 (0.57) GRM5MEN1KMT2AAOC3PRF1
SCHEMBL28941260 0.81 HRH3 (0.46) SRD5A1HRH3DRD2DRD4DRD3
SCHEMBL424393 0.81 GRM5 (0.57) GRM5MEN1KMT2ASRD5A1AOC3
SCHEMBL19699194 0.79 GRM5 (0.56) GRM5MEN1KMT2ASRD5A1AOC3
SCHEMBL172065 0.79 GRM5 (0.56) GRM5MEN1KMT2ASRD5A1AOC3

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-113717156-B EGFR inhibitor, preparation method and application thereof 南京红云生物科技有限公司 2023-05-09 CN disclosed
CN-115916759-A Substituted quinazoline compound, preparation method, pharmaceutical composition and application thereof 南京红云生物科技有限公司 2023-04-04 CN disclosed
CN-115697996-A Alkenyl pyrimidine compound, preparation method and application thereof 南京红云生物科技有限公司 2023-02-03 CN disclosed