SCHEMBL30003079

SCHEMBL30003079

COc1ccc2cccc(CBr)c2n1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.56
MTNR1B P49286 15/20 0.56
MCHR1 Q99705 1/20 0.38
HTR2C P28335 3/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EGFR P00533 1/20 0.35
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL28892601 1.00 MTNR1A (0.56) MTNR1AMTNR1BMCHR1HTR2CMEN1
SCHEMBL14400281 0.84 MTNR1A (0.61) MTNR1AMTNR1BMCHR1HTR2C
SCHEMBL31332052 0.80 MTNR1A (0.63) MTNR1AMTNR1BMCHR1
SCHEMBL3405870 0.79 MTNR1A (0.52) MTNR1AMTNR1BMEN1LMNAKMT2A
Hydrochloric Acid SCHEMBL20561917 0.79 MTNR1A (0.61) MTNR1AMTNR1BMCHR1
SCHEMBL31331960 0.78 MTNR1A (0.58) MTNR1AMTNR1B
SCHEMBL592558 0.77 NPC1 (0.40) MTNR1AMTNR1BMEN1NPC1LMNA
SCHEMBL13738201 0.77 METAP2 (0.53) MEN1LMNARAB9AKMT2ASMN1; SMN2
SCHEMBL1222885 0.77 BACE1 (0.53) MTNR1AMTNR1BMCHR1NPC1LMNA
SCHEMBL14837467 0.75 MTNR1A (0.52) MTNR1AMTNR1BHTR2CLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115232144-B Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof 长春金赛药业有限责任公司 2024-04-02 CN disclosed
CN-115232144-A Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-10-25 CN disclosed