SCHEMBL471101

SCHEMBL471101

C=C=C(c1cscn1)N1CCC(C)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 2/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RIPK1 Q13546 1/20 0.33
PKM P14618 1/20 0.32
TRPC3 Q13507 2/20 0.32
TRPC6 Q9Y210 2/20 0.32
ATM Q13315 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ACHE P22303 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
NPC1 O15118 2/20 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
SCHEMBL15070484 0.78 RIPK1 (0.50) HPGDRAB9ASMN1; SMN2HTTAPOBEC3A
SCHEMBL19152335 0.65 HRH3 (0.48) HPGDRAB9ASMN1; SMN2HTTKDM4E
SCHEMBL14375269 0.62 ALDH1A1 (0.49) ALDH1A1ACHE
SCHEMBL2722252 0.61 POLB (0.48) KDM4ERIPK1PKMALDH1A1POLB
SCHEMBL13974870 0.59 NAMPT (0.50) HPGDRAB9ASMN1; SMN2KDM4ERIPK1
SCHEMBL13744784 0.57 L3MBTL1 (0.73) HPGDRAB9ASMN1; SMN2RIPK1TRPC3
SCHEMBL19937938 0.57 QDPR (0.43) KDM4EALDH1A1MAPTPOLB
SCHEMBL17546317 0.57 CYP3A4 (0.53) HPGDAPOBEC3AAPOBEC3GALDH1A1ACHE
SCHEMBL770867 0.57 ALDH1A1 (0.54) HPGDRAB9ASMN1; SMN2APOBEC3AAPOBEC3G
SCHEMBL10660097 0.56 ALDH1A1 (0.50) HPGDRAB9ASMN1; SMN2ALDH1A1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012033069-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS 大鵬薬品工業株式会社 (JP) 2012-03-15 WO disclosed