SCHEMBL7968813

SCHEMBL7968813

Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)N1CCN(NC(=O)c3ccc(F)cc3)CC1)O2

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
CYP2D6 P10635 2/20 0.45
ACHE P22303 12/20 0.44
MAOB P27338 1/20 0.44
BCHE P06276 14/20 0.38

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
SCHEMBL7329145 0.81 PTGS1 (0.50) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL2059305 0.78 PTGS1 (0.64) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL10367354 0.77 CYP3A4 (0.67) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL7970513 0.77 PTGS1 (0.60) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL20764448 0.75 PTGS1 (0.64) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL5770041 0.75 PTGS1 (0.64) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL15820196 0.75 PTGS1 (0.60) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL22512408 0.75 CYP3A4 (0.60) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL20764451 0.74 PTGS1 (0.62) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL5769342 0.74 PTGS1 (0.62) 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