SCHEMBL7970513

SCHEMBL7970513

CC(=O)N1CCN(NC(=O)C2(C)CCc3c(C)c(O)c(C)c(C)c3O2)CC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.60
PTGS2 P35354 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
TSHR P16473 1/20 0.60
ACHE P22303 10/20 0.44
MAOB P27338 1/20 0.44
CAPN1 P07384 1/20 0.44
BCHE P06276 9/20 0.42
ALOX5 P09917 4/20 0.41
TTPA P49638 1/20 0.41
NR1I2 O75469 1/20 0.39

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
SCHEMBL18934019 0.79 PTGS1 (0.74) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL15820289 0.79 PTGS1 (0.74) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL15820288 0.79 PTGS1 (0.74) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL15821003 0.79 PTGS1 (0.74) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL16247633 0.78 PTGS1 (0.78) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL1928208 0.78 PTGS1 (0.78) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL8270579 0.78 PTGS1 (0.78) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL2059305 0.77 PTGS1 (0.64) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL7968813 0.77 PTGS1 (0.48) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL10367354 0.77 CYP3A4 (0.67) PTGS1PTGS2CYP1A2CYP3A4TSHR

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-6291464-B1 POTENTIATION OF THE CHOLINERGIC ACTIVITY; THERAPEUTIC TREATMENT OF AMNESIA, DEMENTIA OR SENILE DEMENTIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-18 US disclosed
EP-0968201-A2 NEW AMINOPIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-01-05 EP disclosed
WO-1998035951-A2 NEW AMINOPIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-08-20 WO disclosed