SCHEMBL30452353

SCHEMBL30452353

Clc1ccc(OCC2CCCO2)c(Br)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.47
PTGER1 P34995 1/20 0.46
NPC1 O15118 5/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL24252895 1.00 DRD4 (0.47) DRD4PTGER1NPC1HPGDALDH1A1
SCHEMBL30452003 0.86 ALDH1A1 (0.49) NPC1HPGDALDH1A1RAB9ALMNA
SCHEMBL24252925 0.86 ALDH1A1 (0.49) NPC1HPGDALDH1A1RAB9ALMNA
SCHEMBL15260164 0.83 ALDH1A1 (0.43) DRD4NPC1HPGDALDH1A1RAB9A
SCHEMBL1197051 0.82 PTGER1 (0.46) DRD4PTGER1NPC1HPGDALDH1A1
SCHEMBL1505058 0.82 PTGER1 (0.57) DRD4PTGER1NPC1HPGDALDH1A1
SCHEMBL1197111 0.81 PTGER1 (0.45) DRD4PTGER1NPC1HPGDALDH1A1
SCHEMBL18585229 0.81 MAPT (0.48) DRD4PTGER1NPC1HPGDALDH1A1
SCHEMBL1926867 0.81 RAB9A (0.47) DRD4NPC1HPGDALDH1A1RAB9A
SCHEMBL15260163 0.78 DRD4 (0.47) DRD4HPGDALDH1A1LMNAKDM4E

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-116947903-A Inhibitors of complement factors and uses thereof 安尼艾克松股份有限公司 2023-10-27 CN disclosed
CN-116261564-A Inhibitors of complement factors and uses thereof 安尼艾克松股份有限公司 2023-06-13 CN disclosed
EP-4185592-A1 INHIBITORS OF COMPLEMENT FACTORS AND USES THEREOF Annexon, Inc. (US) 2023-05-31 EP disclosed