SCHEMBL21391124

SCHEMBL21391124

COc1ccc2nc(CCCCC(=O)Cc3ccc(F)cc3)n(C3CCC3)c2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR1A P08908 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
PDE10A Q9Y233 6/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
TSHR P16473 1/20 0.35
CYP11B2 P19099 1/20 0.35
IDH1 O75874 2/20 0.34
GRM2 Q14416 1/20 0.33
THRB P10828 1/20 0.33
USP2 O75604 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL21390711 0.86 CYP11B2 (0.32) ALDH1A1CYP11B2GRM2SMN1; SMN2
SCHEMBL21391073 0.83 PDE10A (0.37) PDE10ACYP11B2PIK3CAMTOR
SCHEMBL21391070 0.82 CYP11B2 (0.36) PDE10ACYP11B2PIK3CAMTOR
SCHEMBL21391002 0.82 CYP11B1 (0.34) ALDH1A1CYP11B2IDH1SMN1; SMN2MEN1
SCHEMBL21391130 0.81 CYP11B2 (0.38) PDE10ACYP11B2PIK3CAMTOR
SCHEMBL21391131 0.81 CYP11B2 (0.37) PDE10AALDH1A1TSHRCYP11B2HSD17B10
SCHEMBL21391120 0.79 TBXA2R (0.35) HTR1AALDH1A1CYP1A2GRM2USP2
SCHEMBL16084178 0.78 CDK5 (0.43) HTR3EHTR3BHTR1AHTR3AHTR3D
SCHEMBL21391072 0.76 PDE10A (0.34) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21390941 0.74 CYP11B2 (0.33) PDE10ACYP11B2PIK3CAMTOR

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-2019183148-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KNOPP BIOSCIENCES LLC (US) 2019-09-26 WO disclosed