SCHEMBL31569035

SCHEMBL31569035

C[C@@H]1NCCc2ncccc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.39
DRD2 P14416 3/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2C9 P11712 1/20 0.39
DRD3 P35462 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DRD4 P21917 1/20 0.39
CYP19A1 P11511 1/20 0.37
CYP2D6 P10635 1/20 0.37
DRD1 P21728 1/20 0.36
RECQL P46063 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
PRCP P42785 1/20 0.35

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
SCHEMBL790256 1.00 MAOA (0.39) MAOADRD2TSHRKDM4ECYP2C9
SCHEMBL31569493 1.00 MAOA (0.39) MAOADRD2TSHRKDM4ECYP2C9
SCHEMBL31568999 1.00 MAOA (0.39) MAOADRD2TSHRKDM4ECYP2C9
Hydrochloric Acid SCHEMBL31569352 0.98 MAOA (0.38) MAOADRD2TSHRKDM4ECYP2C9
SCHEMBL24316222 0.79 PRCP (0.56) DRD2CYP19A1CYP2D6DRD1RECQL
SCHEMBL31569143 0.78 PRCP (0.39) DRD2DRD3CYP19A1CYP2D6DRD1
SCHEMBL2078547 0.76 HTR2C (0.56) HTR2AHTR2CHTR2B
SCHEMBL2078552 0.76 HTR2C (0.56) HTR2AHTR2CHTR2B
SCHEMBL31569538 0.76 PRCP (0.47) DRD2CYP19A1DRD1RECQLPRCP
SCHEMBL31569183 0.76 PRCP (0.44) DRD2CYP19A1CYP2D6DRD1RECQL

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
WO-2025101780-A1 PHARMACOLOGICAL CORRECTORS OF RHODOPSIN AND USES THEREOF OCTANT, INC. (US) 2025-05-15 WO disclosed