SCHEMBL171329

SCHEMBL171329

CC(C)C[C@@H](N)CN1CCCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ANPEP P15144 2/20 0.42
ERAP2 Q6P179 2/20 0.42
ERAP1 Q9NZ08 1/20 0.39
TSHR P16473 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP3A4 P08684 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
GMNN O75496 1/20 0.37
PMP22 Q01453 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ATM Q13315 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL1752333 0.98 ANPEP (0.41) MEN1KMT2AANPEPERAP2ERAP1
SCHEMBL1619040 0.98 ANPEP (0.41) MEN1KMT2AANPEPERAP2ERAP1
SCHEMBL1674470 0.81 MEN1 (0.55) MEN1KMT2AANPEPERAP2TSHR
SCHEMBL1619039 0.81 ANPEP (0.38) ANPEPERAP2ERAP1TSHRCYP2D6
SCHEMBL8558133 0.79 USP2 (0.47) MEN1KMT2AANPEPERAP2ERAP1
SCHEMBL7360096 0.79 ANPEP (0.37) ANPEPERAP2ERAP1TSHRCYP2D6
SCHEMBL8558131 0.79 USP2 (0.47) MEN1KMT2AANPEPERAP2ERAP1
SCHEMBL8553536 0.77 MEN1 (0.46) MEN1KMT2AANPEPERAP2TSHR
SCHEMBL18205131 0.77 MEN1 (0.50) MEN1KMT2AANPEPERAP2CYP2D6
SCHEMBL6783279 0.77 MEN1 (0.50) MEN1KMT2AANPEPERAP2CYP2D6

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-1768966-B1 COUMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY INC (US) 2012-03-07 EP disclosed
US-7851637-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2010-12-14 US disclosed
US-7851637-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2010-12-14 US disclosed