SCHEMBL29313818

SCHEMBL29313818

CC1(C)Cc2ncccc2CN1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
CYP2D6 P10635 3/20 0.34
DRD2 P14416 2/20 0.34
DRD3 P35462 1/20 0.34
DRD1 P21728 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
TIPARP Q7Z3E1 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
SLC6A2 P23975 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
HTR3A P46098 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
SCHEMBL2838703 0.75 ALDH1A1 (0.40) ALDH1A1MAPT
SCHEMBL11418047 0.73 CYP11B2 (0.38) ALDH1A1MAPTDRD2DRD3
SCHEMBL29789782 0.72 ALDH1A1 (0.52) ALDH1A1MAPTCHRNA7
SCHEMBL1011335 0.72 ALDH1A1 (0.52) ALDH1A1MAPTCHRNA7
SCHEMBL23811488 0.70 DRD2 (0.33) DRD2DRD3
SCHEMBL23649716 0.70 HTR2A (0.33) ALDH1A1MAPTCHRNB2CHRNA4
SCHEMBL21708059 0.69 CNR2 (0.38) DRD2DRD3
SCHEMBL31569421 0.69 CYP2D6 (0.46) CYP2D6DRD2DRD3CHRNA7
6,7-Dihydro-5H-Pyrrolo[3,4-B]Pyridine SCHEMBL103669 0.69
6,7-Dihydro-5H-Pyrrolo[3,4-B]Pyridine SCHEMBL29617701 0.69

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
EP-3893872-B1 ORGANOPHOSPHORUS-SUBSTITUTED COMPOUNDS AS C-MET INHIBITORS AND THERAPEUTIC USES THEREOF BETA PHARMA INC (US) 2024-07-17 EP disclosed