SCHEMBL8992344

SCHEMBL8992344

C#CCC(C=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 3/20 0.32
POLQ O75417 1/20 0.31
KCNN4 O15554 2/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
HTT P42858 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL7827129 0.80 ATM (0.34) TSHRATMALDH1A1KCNN4CYP2C19
SCHEMBL6311548 0.72 ALDH1A1 (0.38) TSHRALDH1A1KCNN4CYP2C19HIF1A
SCHEMBL1148767 0.72 KCNN4 (0.40) TSHRATMALDH1A1KCNN4CYP2C19
SCHEMBL27880149 0.72 ALDH1A1 (0.38) TSHRALDH1A1KCNN4CYP2C19HIF1A
SCHEMBL342226 0.72 ALDH1A1 (0.38) TSHRALDH1A1KCNN4CYP2C19HIF1A
SCHEMBL28457377 0.70 KCNN4 (0.46) TSHRATMALDH1A1KCNN4CYP2C19
SCHEMBL8650476 0.69 TSHR (0.36) TSHRALDH1A1KCNN4CYP2C19HIF1A
SCHEMBL28194983 0.69 GAA (0.38) TSHRALDH1A1CYP2C19HIF1A
SCHEMBL7816528 0.69 MAPT (0.35) TSHRATMALDH1A1HTTMAOA
SCHEMBL3193710 0.68 CYP2C19 (0.50) TSHRATMALDH1A1KCNN4CYP2C19

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
EP-0445749-B1 N-Monosubstituted cyclopentenylamines, a process for their preparation and their use as medicaments FUJISAWA PHARMACEUTICAL CO (JP) 1996-07-10 EP disclosed
US-5256824-A Anticholinergic agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-10-26 US disclosed
EP-0445749-A1 N-Monosubstituted cyclopentenylamines, a process for their preparation and their use as medicaments FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-09-11 EP disclosed