SCHEMBL17484304

SCHEMBL17484304

C[C@H]1CN(C2CCNCC2)CCN1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BIRC2 Q13490 1/20 0.32
HTR6 P50406 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
SCHEMBL25698895 0.89 BIRC2 (0.34) HPGDKMT2ASMN1; SMN2BIRC2HTR6
SCHEMBL23139621 0.89 BIRC2 (0.34) HPGDKMT2ASMN1; SMN2BIRC2HTR6
Hydrochloric Acid SCHEMBL25337896 0.87 HPGD (0.34) HPGDKMT2ASMN1; SMN2BIRC2
Hydrochloric Acid SCHEMBL25337894 0.87 HPGD (0.34) HPGDKMT2ASMN1; SMN2BIRC2
SCHEMBL12350484 0.85 HTR6 (0.36) KMT2ABIRC2HTR6
SCHEMBL14856418 0.85 HTR6 (0.36) KMT2ABIRC2HTR6
SCHEMBL6582291 0.83 HTR6 (0.39) KMT2ABIRC2HTR6
Hydrochloric Acid SCHEMBL2237196 0.83 HTR6 (0.35) BIRC2HTR6
SCHEMBL6582294 0.83 HTR6 (0.39) KMT2ABIRC2HTR6
SCHEMBL15933081 0.82 ALDH1A1 (0.42) BIRC2

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-2016015597-A1 COMPOUNDS AS CDK SMALL-MOLECULE INHIBITORS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-02-04 WO disclosed