SCHEMBL29050434

SCHEMBL29050434

Cc1nnc(C)n1-c1ccc(Cl)nc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
CHRNB4 P30926 4/20 0.43
CHRNA3 P32297 4/20 0.43
CHRNB2 P17787 5/20 0.41
CHRNA4 P43681 5/20 0.41
OXTR P30559 2/20 0.41
AVPR1A P37288 1/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 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
SCHEMBL27486788 0.72 POLB (0.42) POLBCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL24185394 0.72 POLB (0.46) POLBCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL27585155 0.72 CYP3A4 (0.59) POLBCHRNB4CHRNA3LMNAL3MBTL1
SCHEMBL15836997 0.72 NOTUM (0.40) POLBOXTRAVPR1AMAPT
SCHEMBL27529815 0.71 POLB (0.41) POLBCHRNB4CHRNA3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL2860419 0.70 POLB (0.40) POLBCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL21568776 0.69 POLB (0.52) POLBCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2450998 0.69 PTGS2 (0.40) POLBCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL18098652 0.69 KDM4E (0.56) POLBOXTRAVPR1ALMNAL3MBTL1
SCHEMBL3577175 0.69 OXTR (0.57) OXTRAVPR1A

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-116568676-A IL-17A modulators 赛诺菲 2023-08-08 CN disclosed
CN-116547275-A IL-17A modulators 赛诺菲 2023-08-04 CN disclosed
EP-4157827-A1 IL-17A MODULATORS SANOFI (FR) 2023-04-05 EP disclosed