SCHEMBL8200311

SCHEMBL8200311

[CH](CC1CC1)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ATM Q13315 1/20 0.50
NR4A1 P22736 1/20 0.44
MAOA P21397 1/20 0.43
MAPK1 P28482 3/20 0.40
MAPT P10636 2/20 0.40
XBP1 P17861 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
PAX8 Q06710 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
IKBKB O14920 2/20 0.39
RAF1 P04049 2/20 0.39

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
SCHEMBL2645192 0.73 NPC1 (0.45) NPC1RAB9AMEN1KMT2AATM
SCHEMBL270008 0.73
SCHEMBL454528 0.72 MEN1 (0.54) NPC1RAB9AMEN1KMT2AATM
SCHEMBL4967243 0.71
SCHEMBL9978657 0.71
SCHEMBL947177 0.71
SCHEMBL8200704 0.70 HRH1 (0.40) MEN1KMT2AMAOAMAPTSMN1; SMN2
SCHEMBL1515444 0.69 NPC1 (0.56) NPC1RAB9AMEN1KMT2AATM
SCHEMBL4651571 0.69 MEN1 (0.56) NPC1RAB9AMEN1KMT2AATM
SCHEMBL9394256 0.69 NPC1 (1.00) NPC1RAB9AMEN1KMT2AATM

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
US-6043227-A C11 carbamates of macrolide antibacterials PFIZER INC. (US) 2000-03-28 US disclosed