SCHEMBL19003699

SCHEMBL19003699

Cc1ccc(N2CCN(C)C[C@@H]2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 6/20 0.46
LMNA P02545 4/20 0.46
GFER P55789 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPK1 P28482 2/20 0.44
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 3/20 0.41
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL27372185 1.00 SMN1; SMN2 (0.47) SMN1; SMN2MAPTLMNAGFERNPSR1
SCHEMBL2610122 1.00 SMN1; SMN2 (0.47) SMN1; SMN2MAPTLMNAGFERNPSR1
SCHEMBL15858036 0.84 HRH3 (0.48) SMN1; SMN2LMNAMAPK1TP53HRH3
SCHEMBL14922270 0.84 DRD2 (0.50) MAPTLMNAMAPK1ALDH1A1TP53
SCHEMBL15858008 0.84 HRH3 (0.48) SMN1; SMN2LMNAMAPK1TP53HRH3
SCHEMBL21590190 0.84 HRH3 (0.51) SMN1; SMN2MAPTTDP1MAPK1POLB
SCHEMBL21590260 0.84 HRH3 (0.51) SMN1; SMN2MAPTTDP1MAPK1POLB
SCHEMBL21590149 0.84 HRH3 (0.51) SMN1; SMN2MAPTTDP1MAPK1POLB
SCHEMBL20884848 0.84 KDM4E (0.52) SMN1; SMN2MAPTLMNAGFERNPSR1
SCHEMBL19003614 0.84 HRH3 (0.48) SMN1; SMN2LMNAMAPK1TP53HRH3

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
WO-2024105363-A1 PYRIDONE AND PYRIMIDINONE INHIBITORS OF HEMATOPOIETIC PROGENITOR KINASE 1 CURADEV PHARMA LTD (GB) 2024-05-23 WO disclosed
EP-2938344-B1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME (US) 2017-06-21 EP disclosed