SCHEMBL17102004

SCHEMBL17102004

NC(=NO)C1(c2ccc(F)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
HSD11B1 P28845 5/20 0.38
SLC6A3 Q01959 1/20 0.38
SLC22A2 O15244 1/20 0.36
SLC22A1 O15245 1/20 0.36
SLC22A3 O75751 1/20 0.36
PLAU P00749 1/20 0.36
APP P05067 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
SIGMAR1 Q99720 1/20 0.34
OPRM1 P35372 1/20 0.34
HDAC1 Q13547 1/20 0.33

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
SCHEMBL8220769 1.00 MAOB (0.38) MAOBMAOAHSD11B1SLC6A3SLC22A2
SCHEMBL28842496 0.81 SLC22A2 (0.36) SLC22A2SLC22A1SLC22A3SIGMAR1OPRM1
SCHEMBL17115021 0.81 HSD11B1 (0.45) MAOBMAOAHSD11B1SLC6A3SLC22A2
SCHEMBL28842444 0.81 SLC22A2 (0.36) SLC22A2SLC22A1SLC22A3PLAUNOS1
SCHEMBL28842621 0.80 MAOA (0.43) MAOBMAOASLC6A3PLAUAPP
SCHEMBL876037 0.80 AKR1C1 (0.44) MAOBMAOAHSD11B1SLC22A2SLC22A1
SCHEMBL838361 0.80 AKR1C1 (0.44) MAOBMAOAHSD11B1SLC22A2SLC22A1
SCHEMBL31459729 0.79 KDM1A (0.45) HSD11B1SLC6A3SIGMAR1OPRM1
SCHEMBL21824468 0.77 CA1 (0.42) CYP2C19
SCHEMBL21824467 0.77 CA1 (0.42) CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025096653-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
CN-115066418-A Carboxy derivatives with anti-inflammatory properties 西特瑞治疗有限公司 2022-09-16 CN disclosed
EP-3119782-A1 2,7-DIAZASPIRO[3.5]NONANE COMPOUNDS reMynd NV (BE) 2017-01-25 EP disclosed
WO-2015140132-A1 2,7-DIAZASPIRO[3.5]NONANE COMPOUNDS REMYND NV (BE) 2015-09-24 WO disclosed