SCHEMBL17844172

SCHEMBL17844172

CC(C)(C)n1sc(-c2ccccc2)c(NC2CCN(c3cccnn3)CC2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GLS O94925 17/20 0.43
SLC6A2 P23975 1/20 0.42
TACR1 P25103 1/20 0.42
OPRM1 P35372 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SLC6A7 Q99884 1/20 0.41
TRPV1 Q8NER1 1/20 0.38
KCNH2 Q12809 1/20 0.37

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
SCHEMBL17844250 0.88 KAT2B (0.41) SLC6A7
SCHEMBL3546550 0.86 LMNA (0.42) GLSTRPV1
SCHEMBL17844145 0.85 HRH3 (0.38) GLSSLC6A2TACR1OPRM1HTR2B
SCHEMBL17844219 0.82 CKS1B (0.38) KCNH2
SCHEMBL17844164 0.81 KAT2B (0.38)
SCHEMBL5260026 0.81 GPR119 (0.38) KCNH2
SCHEMBL17844240 0.81 CHRM4 (0.39) KCNH2
SCHEMBL17844162 0.81 HRH3 (0.41) KCNH2
SCHEMBL17844177 0.80 JAK2 (0.46) TRPV1
SCHEMBL5184355 0.77 BRD4 (0.36) SLC6A2

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-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 WO disclosed