SCHEMBL3625919

SCHEMBL3625919

CC(C)N1Cc2ccccc2[N]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
ACHE P22303 6/20 0.36
BCHE P06276 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
CARM1 Q86X55 1/20 0.35
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CTSD P07339 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
MAOA P21397 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
SCHEMBL1490708 0.72 MAOA (0.40) NPC1HPGDRAB9ASMN1; SMN2SIGMAR1
SCHEMBL11799686 0.69 NPC1 (0.50) NPC1HPGDRAB9ASMN1; SMN2SIGMAR1
SCHEMBL30655966 0.69 MAOB (0.35) MEN1KMT2AKCNH2HRH3MAOA
SCHEMBL4881888 0.68 SIGMAR1 (0.44) NPC1HPGDRAB9ASMN1; SMN2SIGMAR1
SCHEMBL13150862 0.67 SIGMAR1 (0.40) NPC1HPGDRAB9ASMN1; SMN2SIGMAR1
SCHEMBL18881645 0.64 SIGMAR1 (0.41) NPC1HPGDRAB9ASMN1; SMN2SIGMAR1
SCHEMBL1101990 0.64 MEN1 (0.55) HPGDSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL904823 0.61 SIGMAR1 (0.42) NPC1HPGDRAB9ASMN1; SMN2SIGMAR1
SCHEMBL904938 0.61 NPC1 (0.55) NPC1HPGDRAB9ASMN1; SMN2SIGMAR1
SCHEMBL3624116 0.60 NPC1 (0.38) NPC1HPGDRAB9ASMN1; SMN2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212329-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) CHOONGWAE PHARMA CORP (KR) 2014-07-30 EP claimed
EP-2212329-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) Choongwae Pharma Corporation (KR) 2010-08-04 EP claimed
WO-2009051399-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) CHOONGWAE PHARMA CORPORATION (KR) 2009-04-23 WO claimed
EP-2212329-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) CHOONGWAE PHARMA CORP (KR) 2014-07-30 EP disclosed
EP-2212329-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) Choongwae Pharma Corporation (KR) 2010-08-04 EP disclosed
WO-2009051399-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) CHOONGWAE PHARMA CORPORATION (KR) 2009-04-23 WO disclosed