SCHEMBL30995442

SCHEMBL30995442

FC1(F)CC(Cn2cc3ccc(Cl)cc3n2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.32
TGFBR1 P36897 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MAT2A P31153 1/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
GUCY1A1 Q02108 1/20 0.31
GUCY1B1 Q02153 1/20 0.31
NR4A2 P43354 1/20 0.30
THRB P10828 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
HTR2C P28335 2/20 0.30
GLP1R P43220 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL30995477 0.84 CRHR1 (0.42) CRHR1TGFBR1HRH3MAT2AHTR3E
SCHEMBL30995456 0.75 NOTUM (0.41) MAT2ANR4A2THRBCYP1A2
SCHEMBL30995497 0.70 LMNA (0.38) HRH3HTR3ATHRBCYP1A2CYP2D6
SCHEMBL30995500 0.70 MAP4K4 (0.43) CRHR1IRAK4THRBCYP1A2
SCHEMBL30995464 0.69 THRB (0.41) CRHR1NR4A2THRB
SCHEMBL30995440 0.69 THRB (0.36) HTR3ANR4A2THRB
SCHEMBL28947339 0.69 BACE1 (0.32) CYP1A2
SCHEMBL30995423 0.68 TDP1 (0.45) THRB
SCHEMBL30995468 0.68 THRB (0.36) NR4A2THRB
SCHEMBL203392 0.67 THRB (0.39) THRB

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
CN-118530224-A Pyrimidinone compound and application thereof 深圳安泰维生物医药有限公司 2024-08-23 CN disclosed