SCHEMBL12642632

SCHEMBL12642632

O=C(NC1CCN(Cc2ccc(O)cc2)CC1)c1ccncc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.59
▸ TMEM97 Q5BJF2 3/20 0.58
▸ MCHR1 Q99705 2/20 0.58
▸ SLC6A12 P48065 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.56
▸ KCNH2 Q12809 1/20 0.56
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ PRKAB2 O43741 1/20 0.55
▸ PRKAG1 P54619 1/20 0.55

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
SCHEMBL61489 0.85 SIGMAR1 (0.72) SIGMAR1TMEM97MCHR1SLC6A12CYP1A2
SCHEMBL15744773 0.85 KMT2A (0.62) SIGMAR1TMEM97MCHR1SLC6A12CYP1A2
SCHEMBL13003507 0.83 SIGMAR1 (0.57) SIGMAR1TMEM97MCHR1SLC6A12CYP1A2
SCHEMBL15745866 0.83 MEN1 (0.60) SIGMAR1TMEM97MCHR1SLC6A12CYP1A2
SCHEMBL8223184 0.79 PRKAA2 (0.54) SIGMAR1TMEM97MCHR1SLC6A12CYP1A2
SCHEMBL61848 0.79 TMEM97 (0.83) SIGMAR1TMEM97MCHR1SLC6A12CYP1A2
SCHEMBL694949 0.79 SIGMAR1 (0.82) SIGMAR1TMEM97MCHR1SLC6A12CYP1A2
SCHEMBL14115981 0.79 SIGMAR1 (0.67) SIGMAR1KMT2AKCNH2
SCHEMBL12642617 0.78 ALDH1A1 (0.65) SIGMAR1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL62237 0.78 DRD4 (0.76) SIGMAR1TMEM97MCHR1SLC6A12CYP1A2

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-2336125-A1 Thiazolopyridin-2-yloxy-phenyl and thiazolopyrazin-2-yloxy-phenyl amines as modulators of leukotriene A4 hydrolase Janssen Pharmaceutica N.V. (BE) 2011-06-22 — — EP disclosed
Send feedback