SCHEMBL7961623

SCHEMBL7961623

CN1CCN(c2ccccc2-c2nc(-c3ccccc3)no2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
GPR55 Q9Y2T6 1/20 0.55
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 5/20 0.52
NFKB1 P19838 3/20 0.51
MAPK1 P28482 3/20 0.51
NFKB2 Q00653 3/20 0.51
RELA Q04206 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
RAB9A P51151 2/20 0.51
TP53 P04637 2/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
PKM P14618 1/20 0.51
KMT2A Q03164 1/20 0.51
CHUK O15111 1/20 0.51
CASP3 P42574 1/20 0.51
TXNRD1 Q16881 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51

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
SCHEMBL5736286 0.89 MAPT (0.53) MAPTGPR55ALDH1A1SMN1; SMN2NFKB1
SCHEMBL5734895 0.84 HTR7 (0.61) MAPTGPR55ALDH1A1SMN1; SMN2NFKB1
SCHEMBL7966843 0.82 CYP2D6 (0.63) MAPTGPR55ALDH1A1SMN1; SMN2NFKB1
SCHEMBL17987100 0.77 HTR1A (0.62) MAPTMAPK1KMT2ALMNAHRH4
SCHEMBL5734066 0.74 MAPT (0.55) MAPTGPR55ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL7947523 0.74 MAPT (0.54) MAPTGPR55ALDH1A1SMN1; SMN2NFKB1
SCHEMBL12083807 0.72 SMN1; SMN2 (0.60) MAPTGPR55ALDH1A1SMN1; SMN2NFKB1
SCHEMBL7399348 0.71 GPR55 (0.71) MAPTGPR55ALDH1A1SMN1; SMN2NFKB1
SCHEMBL7961948 0.71 GPR55 (0.65) MAPTGPR55ALDH1A1SMN1; SMN2NFKB1
SCHEMBL7959021 0.70 MAPT (0.50) MAPTGPR55ALDH1A1SMN1; SMN2NFKB1

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