SCHEMBL9517895

SCHEMBL9517895

O=CC1CCC(c2ccc(F)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.38
MAP1LC3B Q9GZQ8 1/20 0.38
PTGS2 P35354 3/20 0.36
PTGS1 P23219 2/20 0.36
SLC6A2 P23975 2/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
SLC6A4 P31645 2/20 0.34
HTR2B P41595 2/20 0.34
SLC6A3 Q01959 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C1 Q04828 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
SLC18A3 Q16572 1/20 0.33

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
SCHEMBL6455522 0.90 MAP1LC3B (0.35) KDM1AMAP1LC3BPTGS2PTGS1SLC6A2
SCHEMBL6455518 0.90 MAP1LC3B (0.35) KDM1AMAP1LC3BPTGS2PTGS1SLC6A2
SCHEMBL9252538 0.89 MAP1LC3B (0.40) KDM1AMAP1LC3BPTGS2PTGS1HDAC2
SCHEMBL9252545 0.89 MAP1LC3B (0.40) KDM1AMAP1LC3BPTGS2PTGS1HDAC2
Hydrochloric Acid SCHEMBL28713022 0.87 MAP1LC3B (0.39) KDM1AMAP1LC3BPTGS2PTGS1SLC6A2
SCHEMBL16761993 0.86 KDM1A (0.42) KDM1AMAP1LC3BSLC6A2HTR2AHTR2C
SCHEMBL16761996 0.86 KDM1A (0.42) KDM1AMAP1LC3BSLC6A2HTR2AHTR2C
SCHEMBL10693588 0.81 HTR3A (0.42) MAP1LC3BSLC6A2SLC6A3SLC18A3
SCHEMBL14140574 0.81 LMNA (0.40) MAP1LC3BHTR2AHTR2CHTR2BHRH3
SCHEMBL8036501 0.81 AKR1C3 (0.52) AKR1C3AKR1C1SIGMAR1SLC18A3

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-0559743-A1 NOVEL HYDROXAMIC ACID AND N-HYDROXYUREA DERIVATIVES AND THEIR USE. PFIZER HOSPITAL PROD (US) 1993-09-15 EP disclosed
WO-1992009566-A1 NOVEL HYDROXAMIC ACID AND N-HYDROXYUREA DERIVATIVES AND THEIR USE PFIZER INC. (US) 1992-06-11 WO disclosed