SCHEMBL29475558

SCHEMBL29475558

O=Cc1cc(C(=O)N2CC[C@@H](c3ccc(N4CCCC4)cc3)C2)cc(F)c1O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
ERN1 O75460 2/20 0.44
PROKR1 Q8TCW9 10/20 0.41
FAAH O00519 2/20 0.40
NAMPT P43490 1/20 0.39
MBTD1 Q05BQ5 1/20 0.39
TP53BP1 Q12888 1/20 0.39
L3MBTL4 Q8NA19 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
SPR P35270 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
SCHEMBL29475571 1.00 NPC1 (0.45) NPC1RAB9AATMERN1PROKR1
SCHEMBL25317707 1.00 NPC1 (0.45) NPC1RAB9AATMERN1PROKR1
SCHEMBL30476675 1.00 NPC1 (0.45) NPC1RAB9AATMERN1PROKR1
SCHEMBL25319039 1.00 NPC1 (0.45) NPC1RAB9AATMERN1PROKR1
SCHEMBL29475595 1.00 NPC1 (0.45) NPC1RAB9AATMERN1PROKR1
SCHEMBL25319473 1.00 NPC1 (0.45) NPC1RAB9AATMERN1PROKR1
SCHEMBL25319847 0.95 ERN1 (0.47) NPC1RAB9AATMERN1FAAH
SCHEMBL29475525 0.95 ERN1 (0.47) NPC1RAB9AATMERN1FAAH
SCHEMBL25317544 0.93 ERN1 (0.47) NPC1RAB9AERN1PROKR1FAAH
SCHEMBL29475606 0.93 ERN1 (0.47) NPC1RAB9AERN1PROKR1FAAH

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
EP-4217342-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING Neuropore Therapies, Inc. (US) 2023-08-02 EP disclosed
WO-2022067114-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. (US) 2022-03-31 WO disclosed