SCHEMBL8683030

SCHEMBL8683030

CCC1CNC(=O)N1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.38
G6PD P11413 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ELANE P08246 1/20 0.36
LMNA P02545 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CES2 O00748 1/20 0.36
SHMT2 P34897 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
SCHEMBL11334877 0.80 ALDH1A1 (0.35) ALOX5MEN1KMT2ACYP1A2CYP2C9
SCHEMBL11099498 0.79 MEN1 (0.43) MEN1KMT2ASMN1; SMN2L3MBTL1LMNA
SCHEMBL11188819 0.77 MEN1 (0.34) ALOX5MEN1KMT2ACYP1A2CYP2C9
SCHEMBL11092534 0.77 MAPT (0.46) SMN1; SMN2GAALMNA
SCHEMBL22560034 0.77 MEN1 (0.42) ALOX5MEN1KMT2ACYP1A2CYP2C9
SCHEMBL2234874 0.77 GAA (0.44) ALOX5MEN1KMT2ASMN1; SMN2GAA
SCHEMBL31663152 0.77 GAA (0.44) ALOX5MEN1KMT2ASMN1; SMN2GAA
SCHEMBL4653392 0.76 CYP2D6 (0.36) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL8417012 0.76 GAA (0.43) SMN1; SMN2NPSR1GAAL3MBTL1
Hydrochloric Acid SCHEMBL10834103 0.76 MEN1 (0.33) ALOX5MEN1KMT2ACYP1A2CYP2C9

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
US-5753661-A TREATMENT OF NERVOUS SYSTEM, PSYCHOLOGICAL DISORDERS; ANTIDEPRESSANTS H. LUNDBECK A/S (DK) 1998-05-19 US disclosed