SCHEMBL4677480

SCHEMBL4677480

O=C(c1c[nH]c2ccc(F)cc12)C1CCNCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.68
HTR3B O95264 2/20 0.68
HTR3A P46098 2/20 0.68
HTR3D Q70Z44 2/20 0.68
HTR3C Q8WXA8 2/20 0.68
SLC6A4 P31645 1/20 0.56
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KDM4E B2RXH2 1/20 0.52
KMT2A Q03164 1/20 0.51
HPGD P15428 1/20 0.47
HTR4 Q13639 2/20 0.46
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
TSHR P16473 1/20 0.46
HSD11B1 P28845 1/20 0.45
NMT2 O60551 1/20 0.44
NMT1 P30419 1/20 0.44
MAPT P10636 1/20 0.43
MPO P05164 1/20 0.43

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
SCHEMBL4677474 0.86 HTR3E (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8096357 0.82 ALDH1A1 (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10784335 0.82 HTR4 (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29206560 0.80 ALDH1A1 (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL30053987 0.80 ALDH1A1 (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2078270 0.77 KDM4E (0.55) SLC6A4ALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL784795 0.77 KDM4E (0.81) SLC6A4ALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL6616994 0.77 KDM4E (0.55) SLC6A4ALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL6616991 0.77 KDM4E (0.55) SLC6A4ALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL30323082 0.76 CES2 (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C

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
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
US-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 US disclosed