SCHEMBL5819600

SCHEMBL5819600

Fc1ccccc1-c1nc(N2CCNCC2)sc1-c1n[c]ncc1C1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
HTR3A P46098 1/20 0.36
HTR6 P50406 1/20 0.36
HRH3 Q9Y5N1 1/20 0.34
CDK4 P11802 3/20 0.34
CCND1 P24385 3/20 0.34
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
SCN4A P35499 1/20 0.32
SCN9A Q15858 1/20 0.32
KCNH2 Q12809 1/20 0.32
SOS1 Q07889 1/20 0.32
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL5822655 0.92 HRH3 (0.39) HRH3KCNH2RAB9ASMN1; SMN2NPC1
SCHEMBL5822624 0.89 HRH3 (0.40) HRH3KCNH2RAB9ASMN1; SMN2NPC1
SCHEMBL5817975 0.88 SMN1; SMN2 (0.38) HRH3KCNH2RAB9ASMN1; SMN2NPC1
SCHEMBL5817807 0.88 KMT2A (0.35) HRH3CDK4CCND1RAB9ASMN1; SMN2
SCHEMBL5817051 0.85 SMN1; SMN2 (0.39) HRH3KCNH2RAB9ASMN1; SMN2NPC1
SCHEMBL5823482 0.84 KCNH2 (0.44) HTR1AHTR7HTR2BHTR3AHTR6
SCHEMBL5817697 0.83 MEN1 (0.36) HTR1AKCNH2
SCHEMBL5820465 0.83 ALDH1A2 (0.39) HTR1AHTR7HTR2BHTR3AHTR6
SCHEMBL5823265 0.81 KCNH2 (0.44) HTR1AHTR7HTR2BHTR6KCNH2
SCHEMBL5818820 0.80 GABRA1 (0.40) HTR1AHTR7HTR2BHTR3AHTR6

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-2006137658-A1 NEW SUBSTITUTED 1,3-THIAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVING IMMUNOSUPPRESSION AND INFLAMMATION INHIBITORY ACITIVITY, INTERMEDIATE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, A PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONGBU HITEK CO., LTD. (KR) 2006-12-28 WO disclosed