SCHEMBL5597241

SCHEMBL5597241

CCCC(c1ncc[nH]1)c1ccc(C#N)cc1OCc1cccc(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.39
MRGPRX4 Q96LA9 5/20 0.37
CCR5 P51681 1/20 0.35
FFAR1 O14842 1/20 0.35
HTR6 P50406 2/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
MAOB P27338 3/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPD P32754 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL5597175 0.90 FPR2 (0.38) SLC6A4CCR5MAOBSMN1; SMN2
SCHEMBL4642066 0.82 CCR5 (0.39) SLC6A4MRGPRX4CCR5MAOB
SCHEMBL5597418 0.78 MRGPRX4 (0.36) SLC6A4MRGPRX4L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2356870 0.76 CYP17A1 (0.40) SLC6A4CCR5HTR6CYP19A1CYP11B1
SCHEMBL5597310 0.73 FPR2 (0.44) MRGPRX4MAOB
SCHEMBL5597242 0.72 SLC6A4 (0.43) SLC6A4MRGPRX4CCR5FFAR1HTR6
SCHEMBL4642508 0.71 MRGPRX4 (0.39) SLC6A4MRGPRX4L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2351260 0.70 CYP19A1 (0.39) SLC6A4MRGPRX4CCR5CYP19A1CYP11B1
SCHEMBL4642685 0.70 FPR2 (0.47) SMN1; SMN2
SCHEMBL4640765 0.69 FPR2 (0.40) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1804819-A4 USE OF AROMATASE INHIBITORS FOR ENDOMETRIAL THINNING IN PREPARATION FOR SURGICAL PROCEDURES ON THE ENDOMETRIAL CAVITY AND UTERUS UNIV WAYNE STATE (US) 2007-12-12 EP disclosed
EP-1804819-A2 USE OF AROMATASE INHIBITORS FOR ENDOMETRIAL THINNING IN PREPARATION FOR SURGICAL PROCEDURES ON THE ENDOMETRIAL CAVITY AND UTERUS WAYNE STATE UNIVERSITY (US) 2007-07-11 EP disclosed
WO-2006041939-A2 USE OF AROMATASE INHIBITORS FOR ENDOMETRIAL THINNING IN PREPARATION FOR SURGICAL PROCEDURES ON THE ENDOMETRIAL CAVITY AND UTERUS WAYNE STATE UNIVERSITY (US) 2006-04-20 WO disclosed
EP-1492515-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AROMATASE INHIBITOR AND AN ESTROGEN SUITABLE FOR HORMONE REPLACEMENT THERAPY FOR A MALE JENCAP RESEARCH LTD. (CA) 2005-01-05 EP disclosed
WO-2003082254-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AROMATASE INHIBITOR AND AN ESTROGEN SUITABLE FOR HORMONE REPLACEMENT THERAPY FOR A MALE JENCAP RESEARCH LTD. (CA) 2003-10-09 WO disclosed