SCHEMBL5325602

SCHEMBL5325602

COC(=O)Nc1ccc(F)c(C2CCNCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NMT2 O60551 1/20 0.43
NMT1 P30419 1/20 0.43
APP P05067 2/20 0.42
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
HTR1A P08908 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
FPR1 P21462 1/20 0.40
FPR2 P25090 1/20 0.40

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
SCHEMBL5326201 0.85 HTR2C (0.45) NMT2NMT1
SCHEMBL5345157 0.83 DRD2 (0.47) NMT2NMT1APPIDO1TDO2
SCHEMBL27893573 0.82 NMT2 (0.50) NMT2NMT1APPIDO1TDO2
SCHEMBL27621992 0.81 NMT2 (0.50) NMT2NMT1APP
Hydrochloric Acid SCHEMBL27873356 0.81 NMT2 (0.49) NMT2NMT1APPIDO1TDO2
Hydrochloric Acid SCHEMBL2034993 0.81 NMT2 (0.42) NMT2NMT1APPIDO1TDO2
SCHEMBL13645914 0.78 CHRNB2 (0.44) HTR1ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL3861904 0.77 CHRNB2 (0.43) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL5324244 0.76 HTR2C (0.55)
SCHEMBL27669377 0.74 KMT2A (0.46) NMT2NMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007114916-A2 ARYLBENZYLPIPERIDINE COMPOUNDS H. LUNDBECK A/S (DK) 2007-10-11 WO disclosed