SCHEMBL5230381

SCHEMBL5230381

NC(=O)C1(c2ccc(F)cc2)OCCO1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.40
MAOB P27338 2/20 0.37
KCNN4 O15554 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAOA P21397 1/20 0.37
PTGS2 P35354 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34

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
SCHEMBL5234394 0.81 SLC6A3 (0.38) HSD11B1MAOBKCNN4CES2CES1
SCHEMBL3140331 0.77 PARP10 (0.46) MAOBALDH1A1MAOACES2CES1
SCHEMBL7805830 0.76 HSD11B1 (0.42) HSD11B1PTGS2
SCHEMBL5202712 0.74 SLC6A4 (0.45)
SCHEMBL2701756 0.71 ALOX5 (0.49) HSD11B1ALDH1A1
SCHEMBL379020 0.71 HSD11B1 (0.49) HSD11B1MAOBKCNN4ALDH1A1MAOA
SCHEMBL19817411 0.70 IDO1 (0.43) HSD11B1MAOBKCNN4ALDH1A1MAOA
Hydrochloric Acid SCHEMBL5794598 0.69 HSD11B1 (0.48) HSD11B1MAOBKCNN4ALDH1A1MAOA
SCHEMBL3704068 0.69 AKR1C1 (0.38) HSD11B1MAOB
SCHEMBL15874310 0.69 KMT2A (0.43) MAOBMAOA

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-1819672-A1 INDOLE-2-CARBOXYLIC ACID AMIDES Prosidion Limited (GB) 2007-08-22 EP disclosed
WO-2006056815-A1 INDOLE-2-CARBOXYLIC ACID AMIDES PROSIDION LIMITED (GB) 2006-06-01 WO disclosed