SCHEMBL7862903

SCHEMBL7862903

CCOC(=O)C1(C(N)C#N)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
TSHR P16473 1/20 0.35
ALOX15 P16050 1/20 0.34
DPP4 P27487 3/20 0.34
POLB P06746 1/20 0.33
OPRM1 P35372 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32
GAA P10253 1/20 0.32
SLC22A1 O15245 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
KCNH2 Q12809 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL16384809 0.82 ALDH1A1 (0.35) ALDH1A1TSHRPOLBOPRM1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL738865 0.81 ALDH1A1 (0.34) ALDH1A1TSHRPOLBOPRM1SMN1; SMN2
SCHEMBL29067375 0.79 ALOX15 (0.38) ALDH1A1ALOX15POLBOPRM1SMN1; SMN2
SCHEMBL29067373 0.79 ALOX15 (0.38) ALDH1A1ALOX15POLBOPRM1SMN1; SMN2
SCHEMBL12868735 0.75 ALDH1A1 (0.39) ALDH1A1ALOX15POLBOPRM1SMN1; SMN2
SCHEMBL7864747 0.75 SMN1; SMN2 (0.35) ALDH1A1TSHRPOLBOPRM1SMN1; SMN2
SCHEMBL1752432 0.74 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL740875 0.74 ALOX15 (0.33) ALOX15
SCHEMBL1257005 0.73 OPRM1 (0.38) ALDH1A1ALOX15POLBOPRM1SMN1; SMN2
SCHEMBL10434742 0.73 ALOX15 (0.35) ALDH1A1ALOX15POLBOPRM1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1148047-A2 Processes for preparing cyclic compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-10-24 EP disclosed
US-6218548-B1 (TRIARYLMETHYL)AMINOSPIROPYRROLES DAIICHI PAHARMACEUTICAL CO., LTD. (JP) 2001-04-17 US disclosed
US-6013806-A ANTIBACTEIRAL DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-01-11 US disclosed
US-5856518-A Production process of cyclic compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-01-05 US disclosed
EP-0829473-A1 PROCESSES FOR PREPARING CYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-03-18 EP disclosed