SCHEMBL9720797

SCHEMBL9720797

Cc1ccc(-c2nc(CNC3CCCC3)c(C)[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.51
HRH3 Q9Y5N1 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSS P25774 2/20 0.39
KDM4E B2RXH2 2/20 0.39
PKM P14618 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
OPRL1 P41146 5/20 0.38
KCNH2 Q12809 2/20 0.38
GHSR Q92847 1/20 0.36

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
SCHEMBL9720733 0.99 GRIN2B (0.50) GRIN2BHRH3MAPTMEN1ALDH1A1
SCHEMBL9720802 0.78 SMN1; SMN2 (0.41) GRIN2BMAPTMEN1ALDH1A1KMT2A
SCHEMBL9720685 0.74 KDM4E (0.39) GRIN2BMAPTMEN1ALDH1A1HPGD
SCHEMBL9720698 0.73 GRIN2B (0.41) GRIN2BMAPTCTSSRAB9A
SCHEMBL9720794 0.73 LMNA (0.40) GRIN2BALDH1A1CTSSKDM4ERAB9A
SCHEMBL19350091 0.71 CTSS (0.41) MAPTCTSSRAB9A
SCHEMBL6649887 0.71 TNKS (0.41) MEN1ALDH1A1HPGDKMT2ACTSS
SCHEMBL9720872 0.71 VSIR (0.45) MAPTMEN1ALDH1A1HPGDKMT2A
SCHEMBL9720791 0.71 SMPD3 (0.40) GRIN2BHRH3MEN1KMT2ACTSS
SCHEMBL8807968 0.70 HRH3 (0.83) HRH3MEN1HPGDKMT2AKDM4E

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-5142052-A Cationic effect-driven carbinol/amine reaction LABORATOIRES SYNTEX (FR) 1992-08-25 US disclosed