SCHEMBL1937653

SCHEMBL1937653

CN1CCN(c2nc(-c3ccc(C(N)=O)cc3F)cs2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.52
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
FAAH O00519 2/20 0.48
CTSL P07711 2/20 0.47
CTSS P25774 2/20 0.47
CTSK P43235 2/20 0.47
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
AR P10275 2/20 0.46
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
PLAU P00749 1/20 0.43

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
SCHEMBL1935260 0.90 FAAH (0.48) SMN1; SMN2RAB9ANPC1FAAHCTSL
Hydrochloric Acid SCHEMBL1146413 0.89 FAAH (0.48) SMN1; SMN2RAB9ANPC1FAAHCTSL
Hydrochloric Acid SCHEMBL29565681 0.89 FAAH (0.48) SMN1; SMN2RAB9ANPC1FAAHCTSL
SCHEMBL1146740 0.87 FAAH (0.49) SMN1; SMN2RAB9ANPC1FAAHCTSL
SCHEMBL1936698 0.81 SMN1; SMN2 (0.61) SMN1; SMN2RAB9ANPC1CTSLCTSS
SCHEMBL7927071 0.80 ALDH1A1 (0.48) SMN1; SMN2RAB9ANPC1FAAHCTSL
SCHEMBL8160271 0.75 SMN1; SMN2 (0.44) SMN1; SMN2RAB9ANPC1FAAHCTSL
SCHEMBL23657807 0.75 AR (0.55) SMN1; SMN2RAB9ANPC1FAAHALDH1A1
SCHEMBL16658465 0.74 ALDH1A1 (0.56) SMN1; SMN2RAB9ANPC1ALDH1A1POLB
SCHEMBL3774648 0.74 FAAH (0.62) SMN1; SMN2RAB9ANPC1FAAHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331548-A1 PROTEASE INHIBITORS Medivir AB (SE) 2011-06-15 EP disclosed
WO-2010034788-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-04-01 WO disclosed