SCHEMBL7956850

SCHEMBL7956850

CN(C)CCNc1ccccc1-c1nc(-c2ccccc2)no1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 1/20 0.52
MAPT P10636 10/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
RAB9A P51151 4/20 0.49
NFKB1 P19838 3/20 0.49
MAPK1 P28482 3/20 0.49
NFKB2 Q00653 3/20 0.49
RELA Q04206 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
TP53 P04637 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 3/20 0.49
PKM P14618 1/20 0.49
CHUK O15111 1/20 0.49
CASP3 P42574 1/20 0.49
TXNRD1 Q16881 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49

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
SCHEMBL7956697 0.90 RAB9A (0.49) GPR55MAPTSMN1; SMN2RAB9ANFKB1
SCHEMBL7961948 0.78 GPR55 (0.65) GPR55MAPTSMN1; SMN2RAB9ANFKB1
SCHEMBL4933326 0.77 SMN1; SMN2 (0.50) GPR55MAPTSMN1; SMN2RAB9ANFKB1
SCHEMBL7958856 0.75 HTR7 (0.62) GPR55MAPTSMN1; SMN2RAB9ANFKB1
Irampanel SCHEMBL678128 0.74 HTR7 (0.63) GPR55MAPTSMN1; SMN2RAB9ANFKB1
SCHEMBL7961737 0.74 GPR55 (0.59) GPR55MAPTSMN1; SMN2RAB9ANFKB1
Irampanel SCHEMBL6879876 0.73 HTR7 (0.62) GPR55MAPTSMN1; SMN2RAB9ANFKB1
SCHEMBL7958852 0.72 GPR55 (0.50) GPR55MAPTSMN1; SMN2RAB9ANFKB1
SCHEMBL5733694 0.72 GPR55 (0.50) GPR55MAPTSMN1; SMN2RAB9ANFKB1
SCHEMBL7961680 0.72 SMN1; SMN2 (0.50) GPR55MAPTSMN1; SMN2RAB9ANFKB1

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-6277872-B1 ANTIISCHEMIC AGENTS; BRAIN DISORDERS BOEHRINGER INGELHEIM KG (DE) 2001-08-21 US disclosed