SCHEMBL29980540

SCHEMBL29980540

CN1CCN(C2=CC=CCC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
GAA P10253 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GFER P55789 1/20 0.34
PTK2B Q14289 1/20 0.34
ESR2 Q92731 1/20 0.34
HRH4 Q9H3N8 3/20 0.33
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
HTT P42858 1/20 0.31
GPR35 Q9HC97 1/20 0.31
HTR3A P46098 3/20 0.31
DRD2 P14416 2/20 0.31
DRD3 P35462 2/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3D Q70Z44 1/20 0.31

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
SCHEMBL18849152 0.93 NCF1 (0.40) HRH4HTR3A
SCHEMBL18639230 0.92 ADRA2C (0.32) ADRA2CALDH1A1MAPTGAAKMT2A
SCHEMBL18052758 0.81 ALDH1A1 (0.38) ADRA2CALDH1A1MAPTGAAKMT2A
SCHEMBL20780839 0.79
SCHEMBL12663101 0.79 CHRNA7 (0.42) ALDH1A1MAPTGAAKMT2AKDM4E
SCHEMBL17934702 0.79
SCHEMBL13650809 0.76 ALDH1A1 (0.38) ALDH1A1KDM4EUSP2HTR3AHTR3E
SCHEMBL30425332 0.76 LMNA (0.36) ALDH1A1MAPTGAAKMT2AKDM4E
SCHEMBL19120784 0.76 MAPT (0.46) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL24378189 0.75 HSD17B10 (0.42) ALDH1A1MAPTGAAKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115298198-A Novel compounds and compositions for targeted therapy of kidney-related cancers 上海盟科药业股份有限公司 2022-11-04 CN claimed
CN-113214287-B HPK1 inhibitors and methods of use thereof 大学健康网络 2023-10-20 CN disclosed
CN-116723843-A Pharmaceutical combination of SOS1 inhibitors for the treatment and/or prevention of cancer 鲁宾有限公司 2023-09-08 CN disclosed
CN-111032643-B Quinolinone compounds 詹森药业有限公司 2023-05-30 CN disclosed
CN-115803330-A Salts and crystalline forms of 4-amino-5- (6- (4-methylpiperazin-1-yl) -1H-benzo [ d ] imidazol-2-yl) thieno [2,3-b ] pyridin-6 (7H) -one 大学健康网络 2023-03-14 CN disclosed
CN-115298198-A Novel compounds and compositions for targeted therapy of kidney-related cancers 上海盟科药业股份有限公司 2022-11-04 CN disclosed