SCHEMBL15645839

SCHEMBL15645839

CSC1CCCCN1C(=O)Oc1ccncn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.35
KMT2A Q03164 1/20 0.33
CNR2 P34972 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CPT1A P50416 2/20 0.32
CPT2 P23786 1/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CYP19A1 P11511 1/20 0.32
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
MDM2 Q00987 1/20 0.31
KDM4E B2RXH2 2/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
PREP P48147 1/20 0.31
FAP Q12884 1/20 0.31
DPP8 Q6V1X1 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
SCHEMBL15646950 0.76 CDK5 (0.44) ALDH1A1CDK5CDK5R1PRMT5WDR77
SCHEMBL28018180 0.72 ALDH1A1 (0.46) GPR119KMT2AGAAHPGDALDH1A1
SCHEMBL15645841 0.69 CPT1A (0.40) GPR119CPT1ACPT2ALDH1A1CDK5
SCHEMBL7520610 0.68 KMT2A (0.46) KMT2AGAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL31246080 0.68 PRKCB (0.35) GPR119GAA
SCHEMBL22264544 0.67 HSD17B10 (0.45) KMT2AHPGDALDH1A1SMN1; SMN2PREP
SCHEMBL19617917 0.66 GPR119 (0.38) GPR119KMT2AALDH1A1SMN1; SMN2HRH3
SCHEMBL31732979 0.66 GPR119 (0.38) GPR119KMT2AALDH1A1SMN1; SMN2HRH3
SCHEMBL23043680 0.66 CHRNB2 (0.35) GPR119
SCHEMBL29806270 0.66 ALDH1A1 (0.41) CPT1ACPT2ALDH1A1SMN1; SMN2HRH3

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-2014062938-A1 RORY MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-24 WO disclosed