SCHEMBL9869830

SCHEMBL9869830

NCCCOC(=O)CCC1(c2ccc(F)cc2)OCCO1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.33
LMNA P02545 2/20 0.32
HSD11B1 P28845 1/20 0.32
KLK7 P49862 1/20 0.31
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CCR5 P51681 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
KIF11 P52732 1/20 0.30

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
SCHEMBL9870440 0.82 L3MBTL1 (0.34) LMNAHSD11B1KLK7ALDH1A1L3MBTL1
SCHEMBL4398729 0.81 MGLL (0.36) LMNAHSD11B1KLK7POLBMAPT
SCHEMBL11233227 0.78 SLC6A3 (0.39) HSD11B1KIF11
SCHEMBL2083953 0.74 CA12 (0.39) LMNAALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL2747320 0.73 HSD11B1 (0.46) LMNAHSD11B1MEN1KMT2A
SCHEMBL13067194 0.69 PRKCG (0.38) L3MBTL1TSHRSMN1; SMN2MAPT
SCHEMBL1608747 0.69 SLC6A3 (0.47) LMNASMN1; SMN2MEN1KMT2A
SCHEMBL2085855 0.68 HSD11B1 (0.34) LMNAHSD11B1SMN1; SMN2MEN1KMT2A
SCHEMBL4612086 0.68 MAPT (0.39) LMNAALDH1A1L3MBTL1POLBTSHR
SCHEMBL13067135 0.68 HSD11B1 (0.34) HSD11B1L3MBTL1TSHRSMN1; SMN2CCR5

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
US-5077288-A Adrenergic, serotonin and histamine antagonist ADIR ET COMPAGNIE (FR) 1991-12-31 US disclosed