SCHEMBL8551856

SCHEMBL8551856

CN1C(=O)CCc2cccc(F)c21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 6/20 0.45
CHRM1 P11229 3/20 0.43
DRD2 P14416 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAP2K1 Q02750 1/20 0.40
AADAT Q8N5Z0 1/20 0.40
HTR1A P08908 1/20 0.37
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
CYP17A1 P05093 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP19A1 P11511 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SRD5A2 P31213 1/20 0.35
CYP2A6 P11509 1/20 0.34
HTR7 P34969 1/20 0.34
BRD4 O60885 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
SCHEMBL5001522 0.84 BMPR1B (0.43) CHRM1AADATHTR1AMEN1KMT2A
SCHEMBL31448535 0.82 RHEB (0.43) SRD5A1CHRM1DRD2KCNH2HTR1A
SCHEMBL10889128 0.80 SRD5A1 (0.46) SRD5A1CHRM1DRD2MAP2K1HTR1A
SCHEMBL8555101 0.80 SRD5A1 (0.46) SRD5A1MAP2K1AADATHTR1ACYP11B1
SCHEMBL11272489 0.79 SRD5A1 (0.45) SRD5A1MAP2K1HTR1ACYP11B1CYP11B2
SCHEMBL3588021 0.79 SRD5A1 (0.45) SRD5A1DRD2MAP2K1HTR1ACYP11B1
SCHEMBL11270465 0.79 NOTUM (0.49) SRD5A1MAP2K1AADATHTR1ACYP11B1
SCHEMBL3588020 0.79 SRD5A1 (0.45) SRD5A1CHRM1DRD2MAP2K1HTR1A
SCHEMBL10889135 0.79 SRD5A1 (0.45) SRD5A1DRD2MAP2K1HTR1ACYP11B1
SCHEMBL21820215 0.76 SRD5A1 (0.39) SRD5A1CHRM1MAP2K1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0712838-B1 ACYLPHENYLGLYCINE DERIVATIVE AND PREVENTIVE AND REMEDY FOR DISEASES CAUSED BY INCREASED COLLAGENASE ACTIVITY CONTAINING SAID COMPOUND AS ACTIVE INGREDIENT KANEBO LTD (JP) 1998-11-04 EP disclosed
EP-0848957-A1 Fas LIGAND SOLUBILIZATION INHIBITOR KANEBO LTD. (JP) 1998-06-24 EP disclosed
EP-0623614-B1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LTD (GB) 1998-02-25 EP disclosed
EP-0712838-A1 ACYLPHENYLGLYCINE DERIVATIVE AND PREVENTIVE AND REMEDY FOR DISEASES CAUSED BY INCREASED COLLAGENASE ACTIVITY CONTAINING SAID COMPOUND AS ACTIVE INGREDIENT KANEBO LTD. (JP) 1996-05-22 EP disclosed
US-5512594-A ADMINISTERING TO TREAT A MEDICAL CONDITION MEDIATED BY ONE OR MORE LEUKOTRIENES ZENECA LIMITED (GB) 1996-04-30 US disclosed
US-5478842-A Antiinflammatory agents, antiallergens, drugs for treatment of diseases mediated by leukotrienes ZENECA LIMITED (GB) 1995-12-26 US disclosed
WO-1994025453-A1 4-ARYL-4-HYDROXY-TETRAHYDROPYRANS AND 3-ARYL-3-HYDROXY-TETRAHYDROFURANS AS 5-LIPOXYGENASE INHIBITORS ZENECA LIMITED (GB) 1994-11-10 WO disclosed
EP-0623614-A1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1994-11-09 EP disclosed