SCHEMBL7862909

SCHEMBL7862909

CCOC(=O)C1(C(C#N)NCc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.43
ATM Q13315 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.40
OPRM1 P35372 3/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 2/20 0.39
NAMPT P43490 1/20 0.39
ANPEP P15144 1/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
SLC22A1 O15245 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
KCNH2 Q12809 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL7611749 0.80 CYP3A4 (0.40) SMN1; SMN2OPRM1KDM4EALDH1A1ANPEP
SCHEMBL7619724 0.80 CYP3A4 (0.40) SMN1; SMN2OPRM1KDM4EALDH1A1ANPEP
SCHEMBL7614988 0.80 CYP3A4 (0.40) SMN1; SMN2OPRM1KDM4EALDH1A1ANPEP
SCHEMBL7864103 0.80 CYP3A4 (0.43) SMN1; SMN2LMNAOPRM1KDM4EALDH1A1
SCHEMBL7614012 0.80 CYP3A4 (0.40) SMN1; SMN2OPRM1KDM4EALDH1A1ANPEP
SCHEMBL7613269 0.80 CYP3A4 (0.40) SMN1; SMN2OPRM1KDM4EALDH1A1ANPEP
SCHEMBL7614073 0.76 L3MBTL1 (0.42) ATMSMN1; SMN2L3MBTL1LMNAALDH1A1
SCHEMBL8335782 0.76 CTSB (0.41) KDM4EALDH1A1MAPTANPEPMEN1
SCHEMBL8478313 0.76 CTSB (0.41) KDM4EALDH1A1MAPTANPEPMEN1
SCHEMBL7957020 0.74 OPRM1 (0.38) SMN1; SMN2LMNAOPRM1ANPEPOPRD1

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