SCHEMBL31736417

SCHEMBL31736417

O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.77
SLC6A12 P48065 3/20 0.77
SLC6A13 Q9NSD5 2/20 0.77
DRD4 P21917 2/20 0.77
SIGMAR1 Q99720 4/20 0.76
TMEM97 Q5BJF2 2/20 0.76
CYP1A2 P05177 1/20 0.76
CYP3A4 P08684 1/20 0.76
CYP2D6 P10635 1/20 0.76
CYP2C9 P11712 1/20 0.76
TSHR P16473 1/20 0.76
MAPK1 P28482 1/20 0.76
CYP2C19 P33261 1/20 0.76
KMT2A Q03164 3/20 0.75
MAOB P27338 1/20 0.74
MEN1 O00255 2/20 0.73
KCNH2 Q12809 1/20 0.73
PRKAB2 O43741 1/20 0.71
PRKAG1 P54619 1/20 0.71
PRKAA2 P54646 1/20 0.71

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
SCHEMBL694949 0.93 SIGMAR1 (0.82) MCHR1SLC6A12SLC6A13DRD4SIGMAR1
SCHEMBL61848 0.90 TMEM97 (0.83) MCHR1SLC6A12SLC6A13DRD4SIGMAR1
SCHEMBL7218186 0.88 DRD4 (0.86) MCHR1SLC6A12SLC6A13DRD4SIGMAR1
SCHEMBL2233466 0.88 KCNH2 (0.80) MCHR1SLC6A12SLC6A13DRD4SIGMAR1
SCHEMBL8706202 0.87 DRD4 (0.87) MCHR1SLC6A12SLC6A13DRD4SIGMAR1
SCHEMBL17946338 0.87 KMT2A (0.80) MCHR1SLC6A12SLC6A13DRD4SIGMAR1
SCHEMBL8274001 0.87 MEN1 (0.78) MCHR1SLC6A12SLC6A13DRD4SIGMAR1
SCHEMBL7224869 0.87 SIGMAR1 (0.77) MCHR1SLC6A12SLC6A13DRD4SIGMAR1
SCHEMBL2233461 0.87 TMEM97 (0.77) MCHR1SLC6A12SLC6A13DRD4SIGMAR1
SCHEMBL3366478 0.87 SIGMAR1 (1.00) MCHR1SLC6A12SLC6A13DRD4SIGMAR1

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-2025244856-A1 METHODS AND COMPOSITIONS RELATING TO ELQ COMPOUNDS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2025-11-27 WO disclosed