SCHEMBL30899648

SCHEMBL30899648

O=C(OCc1ccccc1)N1CC=C(c2ncc(Cl)cc2Br)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.48
▸ LNPEP Q9UIQ6 1/20 0.47
▸ PRMT1 Q99873 1/20 0.42
▸ TRPV1 Q8NER1 2/20 0.42
▸ EED O75530 1/20 0.41
▸ RBBP4 Q09028 1/20 0.41
▸ SUZ12 Q15022 1/20 0.41
▸ EZH2 Q15910 1/20 0.41
▸ BTK Q06187 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ PTGDR2 Q9Y5Y4 8/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL30366090 1.00 GRM5 (0.48) GRM5LNPEPPRMT1TRPV1EED
SCHEMBL30899653 0.86 GRM5 (0.48) GRM5LNPEPPRMT1TRPV1EED
SCHEMBL30365855 0.86 GRM5 (0.48) GRM5LNPEPPRMT1TRPV1EED
SCHEMBL30899650 0.82 GRM5 (0.52) GRM5LNPEPPRMT1EEDRBBP4
SCHEMBL30365847 0.82 GRM5 (0.52) GRM5LNPEPPRMT1EEDRBBP4
SCHEMBL32677104 0.79 GRM5 (0.53) GRM5LNPEPPRMT1EEDRBBP4
SCHEMBL13490532 0.78 GRM5 (0.52) GRM5LNPEPPRMT1EEDRBBP4
SCHEMBL8315932 0.77 MEN1 (0.57) GRM5LNPEPPRMT1MEN1KMT2A
SCHEMBL25896472 0.77 LNPEP (0.55) GRM5LNPEPPRMT1EEDRBBP4
SCHEMBL26112816 0.77 GRM5 (0.48) GRM5LNPEPPRMT1EEDRBBP4

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-118076604-A Pyrazolo [3,4-b ] pyridine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2024-05-24 — — CN disclosed
Send feedback