SCHEMBL31482995

SCHEMBL31482995

NC(=O)NCCOc1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
MTNR1A P48039 3/20 0.42
MTNR1B P49286 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PSMB5 P28074 1/20 0.39
HTR1A P08908 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1B P35368 1/20 0.39

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
SCHEMBL1953722 0.85 MTNR1A (0.46) TSHRMTNR1AMTNR1BSMN1; SMN2NPC1
SCHEMBL30638160 0.84 MTNR1A (0.61) TSHRMTNR1AMTNR1BSMN1; SMN2NPC1
SCHEMBL4687910 0.78 TSHR (0.46) TSHRSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL29420339 0.78 CA12 (0.51) TSHRKDM4EL3MBTL1POLB
SCHEMBL15756423 0.78 CA12 (0.51) TSHRKDM4EL3MBTL1POLB
SCHEMBL5116233 0.77 POLB (0.48) TSHRMTNR1AMTNR1BSMN1; SMN2NPC1
SCHEMBL5984317 0.77 HTR1A (0.41) TSHRMTNR1AMTNR1BSMN1; SMN2NPC1
SCHEMBL19463672 0.77 KMT2A (0.60) SMN1; SMN2NPC1RAB9AHPGDKMT2A
SCHEMBL10686596 0.77 SMN1; SMN2 (0.49) TSHRMTNR1ASMN1; SMN2HPGDKMT2A
SCHEMBL3829038 0.77 LMNA (0.49) TSHRSMN1; SMN2NPC1RAB9APKM

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
CN-119841829-A Compounds for the treatment of PI3K gamma mediated diseases and uses thereof 中国科学院合肥物质科学研究院 2025-04-18 CN disclosed