SCHEMBL31387147

SCHEMBL31387147

CN1CCN(CCNC(=O)c2cccnc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.63
HTR1A P08908 1/20 0.63
HTR2A P28223 1/20 0.63
DRD3 P35462 1/20 0.63
HDAC2 Q92769 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
ADRA2A P08913 1/20 0.59
ADRA2B P18089 1/20 0.59
ADRA2C P18825 1/20 0.59
NAMPT P43490 1/20 0.57
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
THRB P10828 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL31387097 0.91 SMN1; SMN2 (0.62) SMN1; SMN2HTR1AHTR2ADRD3ADRA2A
SCHEMBL15477410 0.89 SMN1; SMN2 (0.66) SMN1; SMN2HTR1AHTR2ADRD3ADRA2A
SCHEMBL31387144 0.88 SMN1; SMN2 (0.58) SMN1; SMN2HTR1AHTR2ADRD3ADRA2A
SCHEMBL17554051 0.87 TP53 (0.54) SMN1; SMN2HTR1AHTR2ADRD3ADRA2A
SCHEMBL11341680 0.83 HDAC2 (0.76) SMN1; SMN2HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL9661355 0.82 DRD3 (0.61) SMN1; SMN2HTR1AHTR2ADRD3ADRA2A
SCHEMBL30560454 0.82 KDM4E (0.62) SMN1; SMN2HTR1AALDH1A1TSHR
SCHEMBL17554121 0.82 KDM4E (0.62) SMN1; SMN2HTR1AALDH1A1TSHR
SCHEMBL17554157 0.81 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1TSHRCYP1A2
SCHEMBL17873924 0.81 SMN1; SMN2 (0.76) SMN1; SMN2HTR1AHTR2ADRD3NAMPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119255993-A Thiazole derivative compound and use thereof 奥托泰利克生物公司 2025-01-03 CN claimed
CN-119585248-A Heteroaryl derivatives as DDR inhibitors 奇斯药制品公司 2025-03-07 CN disclosed
CN-119255993-A Thiazole derivative compound and use thereof 奥托泰利克生物公司 2025-01-03 CN disclosed