SCHEMBL9728987

SCHEMBL9728987

CCCN1C[C@@H](C(=O)OCC)C[C@H]2CC(=O)CC[C@@H]21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL11129414 1.00 HTT (0.37) HTTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL15894829 1.00 HTT (0.37) HTTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11068690 1.00 HTT (0.37) HTTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL15894832 0.86 HTT (0.39) HTTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9729324 0.85 DRD3 (0.33) SMN1; SMN2POLBMAPT
SCHEMBL15894833 0.80 MEN1 (0.37) ALDH1A1SMN1; SMN2MEN1KMT2AALOX15
SCHEMBL11078998 0.79 MAPT (0.41) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL15894838 0.76 CYP3A4 (0.46) ALDH1A1MEN1KMT2AGAAHSD17B10
SCHEMBL9728745 0.76 BRD4 (0.36)
SCHEMBL9728744 0.76 BRD4 (0.36)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5134143-A Dopamine Agonists ELI LILLY AND COMPANY (US) 1992-07-28 US disclosed
US-4977160-A DOPAMINE AGONISTS; PARKINSON*S DISEASE ELI LILLY AND COMPANY (US) 1990-12-11 US disclosed
US-4826986-A DOPAMINE AGONISTS ELI LILLY AND COMPANY (US) 1989-05-02 US disclosed