SCHEMBL7914538

SCHEMBL7914538

CCC(=O)N1CC=C(C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
NAMPT P43490 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
OPRM1 P35372 1/20 0.37
PRMT1 Q99873 1/20 0.37
GRM5 P41594 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 2/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
LMNA P02545 1/20 0.35
EPHX2 P34913 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRNB3 Q05901 1/20 0.35

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
SCHEMBL17888228 0.86 NAMPT (0.49) MEN1KMT2ANAMPTNPC1RAB9A
SCHEMBL2606198 0.85 MEN1 (0.40) MEN1KMT2ANAMPT
SCHEMBL17888227 0.83 L3MBTL1 (0.46) MEN1KMT2ANAMPTMAPT
SCHEMBL17888232 0.82 MEN1 (0.44) MEN1KMT2ATSHRNAMPTALDH1A1
SCHEMBL14243055 0.81 ATM (0.46) MEN1KMT2ANAMPTNPC1RAB9A
SCHEMBL12049773 0.81 NAMPT (0.50) MEN1KMT2ATSHRNAMPTGRM5
SCHEMBL17888233 0.81 GRM1 (0.45) MEN1KMT2ANAMPTGRM5
SCHEMBL12285920 0.81 KDM4E (0.51) MEN1KMT2ANAMPTALDH1A1MAPT
SCHEMBL20671693 0.80 BLM (0.40) BLMMEN1KMT2ATSHRNAMPT
SCHEMBL7447957 0.80 MAPT (0.45) MEN1KMT2ATSHRALDH1A1MAPT

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
WO-2019016071-A1 SUBSTITUTED PYRROLOPYRIDINE-DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-01-24 WO disclosed
US-8889706-B2 Soluble mTOR complexes and modulators thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-11-18 US disclosed
WO-2010044885-A2 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2010-04-22 WO disclosed