SCHEMBL16675746

SCHEMBL16675746

CNc1cccc(N2CC[C@H](C)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.42
NOTUM Q6P988 5/20 0.40
LMNA P02545 1/20 0.40
BPTF Q12830 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AVPR2 P30518 1/20 0.36
JAK3 P52333 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
GHSR Q92847 3/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL27308406 0.90 LMNA (0.45) LMNAALDH1A1MAPTL3MBTL1MEN1
SCHEMBL16675702 0.81 MCHR1 (0.46)
SCHEMBL12027636 0.81 MCHR1 (0.46)
SCHEMBL27959338 0.81 MCHR1 (0.46)
SCHEMBL23657315 0.79 IDH2 (0.40) NOTUMALDH1A1MAPTMEN1KMT2A
SCHEMBL15928755 0.79 ADRA2C (0.54) PDK2NOTUMLMNABPTFALDH1A1
SCHEMBL16675695 0.79 ADRA2C (0.54) PDK2NOTUMLMNABPTFALDH1A1
SCHEMBL10472128 0.78 NOTUM (0.61) NOTUMLMNAALDH1A1MAPTL3MBTL1
SCHEMBL12862539 0.78 OPRM1 (0.50) PDK2NOTUMALDH1A1MEN1KMT2A
SCHEMBL18801748 0.76 PRMT6 (0.56) ALDH1A1MAPTMEN1KMT2ATSHR

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-2188251-B1 ARYLSULFONAMIDES WITH ANALGESIC ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2015-04-29 EP disclosed