SCHEMBL8989993

SCHEMBL8989993

CN(C)C1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
NR1H2 P55055 1/20 0.37
UCHL1 P09936 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 1/20 0.36
USP30 Q70CQ3 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
HTRA1 Q92743 1/20 0.35
AGTR2 P50052 2/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
HSD11B1 P28845 2/20 0.33

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
SCHEMBL31000505 1.00 HSD17B10 (0.40) HSD17B10NR1H2UCHL1CHRM2CHRM1
SCHEMBL31000524 1.00 HSD17B10 (0.40) HSD17B10NR1H2UCHL1CHRM2CHRM1
SCHEMBL2255624 1.00 HSD17B10 (0.40) HSD17B10NR1H2UCHL1CHRM2CHRM1
SCHEMBL8989992 1.00 HSD17B10 (0.40) HSD17B10NR1H2UCHL1CHRM2CHRM1
SCHEMBL21285786 1.00 HSD17B10 (0.40) HSD17B10NR1H2UCHL1CHRM2CHRM1
SCHEMBL29233906 0.87 HSD11B1 (0.44) HSD17B10NR1H2UCHL1CHRM2CHRM1
SCHEMBL29233907 0.87 HSD11B1 (0.44) HSD17B10NR1H2UCHL1CHRM2CHRM1
SCHEMBL30334785 0.87 HSD11B1 (0.44) HSD17B10NR1H2UCHL1CHRM2CHRM1
SCHEMBL34473203 0.87 UCHL1 (0.39) HSD17B10NR1H2UCHL1CHRM2CHRM1
SCHEMBL8989868 0.87 PIK3CA (0.40) HSD17B10NR1H2UCHL1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5578633-A VASOPRESSIN AND OXYTOCIN ANTAGONISTS SANOFI (FR) 1996-11-26 US disclosed
US-5481005-A N-sulfonylindoline derivatives, their preparation and the pharmaceutical compositions in which they are present SANOFI (FR) 1996-01-02 US disclosed
US-5397801-A Affinity for vasopressin and ocytocin receptors; disorders of nervous, cardiovascular and gastrointestinal systems SANOFI (FR) 1995-03-14 US disclosed
US-5338755-A Have affinity for vasopressin and ocytocin receptors; intermediates for drugs that act on central nervous system ELF SANOFI (FR) 1994-08-16 US disclosed