SCHEMBL28933503

SCHEMBL28933503

CCOc1cc2c(cc1OC)CCN=C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.44
KDM4E B2RXH2 4/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MAOA P21397 3/20 0.40
GLA P06280 2/20 0.40
GAA P10253 2/20 0.40
ENPP1 P22413 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ACHE P22303 1/20 0.37
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 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
SCHEMBL30019618 1.00 PDE4D (0.44) PDE4DKDM4EMAPTALDH1A1MAOA
SCHEMBL9573042 0.94 ACHE (0.41) PDE4DKDM4EMAPTALDH1A1MAOA
Hydrochloric Acid SCHEMBL11547300 0.92 ACHE (0.40) PDE4DKDM4EMAPTGAALMNA
SCHEMBL31268130 0.89 MAOA (0.47) KDM4EMAPTALDH1A1MAOAGLA
SCHEMBL17144907 0.89 MAOA (0.47) KDM4EMAPTALDH1A1MAOAGLA
SCHEMBL251439 0.89 MAOA (0.47) KDM4EMAPTALDH1A1MAOAGLA
SCHEMBL16973461 0.88 ALDH1A1 (0.41) PDE4DKDM4EMAPTALDH1A1MAOA
Hydrochloric Acid SCHEMBL4772044 0.87 MAOA (0.46) KDM4EMAPTALDH1A1MAOAGLA
Hydrochloric Acid SCHEMBL5006407 0.85 MAOA (0.45) KDM4EMAPTALDH1A1MAOAGLA
SCHEMBL19932799 0.84 KDM4E (0.40) KDM4EMAPTALDH1A1MAOAGLA

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
CN-115260094-B New method for synthesizing norlinderane hydrochloride 珠海润都制药股份有限公司 2024-04-05 CN disclosed
CN-115260094-A Novel synthetic method of higenamine hydrochloride 珠海润都制药股份有限公司 2022-11-01 CN disclosed