SCHEMBL5218539

SCHEMBL5218539

C1=CC2(c3ccc(-c4ccco4)nc3)CCN(C1)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
MAPK1 P28482 1/20 0.32
SMARCA2 P51531 2/20 0.31
PBRM1 Q86U86 2/20 0.31
ALDH1A1 P00352 4/20 0.31
KDM4E B2RXH2 4/20 0.31
FYN P06241 2/20 0.31
GAA P10253 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
SMARCA4 P51532 1/20 0.30
RAB9A P51151 2/20 0.30
GLA P06280 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30

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
Bromide SCHEMBL4467487 0.99 CYP11B1 (0.36) CYP11B1CYP11B2ADORA2AADORA1MAPK1
SCHEMBL4463632 0.83 CYP11B1 (0.41) CYP11B1ALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL4463819 0.82 HSD11B1 (0.38) CYP11B1CYP11B2
SCHEMBL4463636 0.80
SCHEMBL4465415 0.80 NPC1 (0.36) CYP11B1CYP11B2NPC1
SCHEMBL5215973 0.80 KDR (0.31) KDM4C
SCHEMBL5220760 0.80 CYP11B1 (0.36) CYP11B1CYP11B2ALDH1A1FYNMEN1
Bromide SCHEMBL4481198 0.79 KDR (0.31)
SCHEMBL5217300 0.79 HPGDS (0.37) CYP11B1CYP11B2ALDH1A1KDM4EFYN
SCHEMBL4475112 0.78 CHRNA7 (0.37)

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
EP-1465893-B1 DERIVATIVES OF 5-(PYRIDIN-3-YL)-1-AZABICYCLO (3.2.1) OCTANE, THE PREPARATION THEREOF AND THE APPLICATION OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2007-02-28 EP claimed