SCHEMBL14933982

SCHEMBL14933982

c1ccc(CC2COc3ccccc3CN2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SIGMAR1 Q99720 2/20 0.45
HTR1A P08908 1/20 0.45
MAOB P27338 1/20 0.43
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
OXTR P30559 1/20 0.42
POLB P06746 1/20 0.41
PNMT P11086 1/20 0.39

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
SCHEMBL18577157 0.88 MAOB (0.48) MEN1KMT2ASIGMAR1HTR1AMAOB
SCHEMBL18577156 0.88 MAOB (0.48) MEN1KMT2ASIGMAR1HTR1AMAOB
SCHEMBL18707313 0.81 OXTR (0.49) OXTRPNMT
SCHEMBL18706942 0.81 OXTR (0.49) OXTRPNMT
SCHEMBL18707169 0.81 OXTR (0.49) OXTRPNMT
SCHEMBL13091464 0.81 OXTR (0.44) OXTRPNMT
SCHEMBL17957834 0.80 LTB4R (0.54) MEN1KMT2ALTB4RLTB4R2
SCHEMBL17957836 0.80 LTB4R (0.54) MEN1KMT2ALTB4RLTB4R2
Hydrochloric Acid SCHEMBL18706730 0.79 OXTR (0.47) MEN1KMT2AOXTRPNMT
Hydrochloric Acid SCHEMBL18706732 0.79 OXTR (0.47) MEN1KMT2AOXTRPNMT

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
WO-2013064231-A1 SEVEN-MEMBERED SULFONAMIDES AS MODULATORS OF RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORγ, NR1F3) PHENEX PHARMACEUTICALS AG (DE) 2013-05-10 WO disclosed