SCHEMBL5597175

SCHEMBL5597175

CCCC(c1ncc[nH]1)c1ccc(C#N)cc1OCc1ccc(Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.38
CCR5 P51681 2/20 0.37
LRRK2 Q5S007 1/20 0.35
XDH P47989 2/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP2 O95551 1/20 0.33
SLC6A4 P31645 1/20 0.33
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
F2RL1 P55085 3/20 0.32

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
SCHEMBL4642066 0.92 CCR5 (0.39) FPR2CCR5LRRK2XDHMAOA
SCHEMBL5597241 0.90 SLC6A4 (0.39) CCR5MAOBSLC6A4SMN1; SMN2
SCHEMBL5597310 0.83 FPR2 (0.44) FPR2XDHMAOB
SCHEMBL5597418 0.80 MRGPRX4 (0.36) MAPTSLC6A4SMN1; SMN2
SCHEMBL4640765 0.78 FPR2 (0.40) FPR2NPC1RAB9ASMN1; SMN2
SCHEMBL4642685 0.77 FPR2 (0.47) FPR2LRRK2MAPTNPC1HTT
SCHEMBL4642228 0.77 FPR2 (0.44) FPR2XDHMAPT
SCHEMBL2352269 0.74 CYP19A1 (0.43) CCR5LRRK2
SCHEMBL4642508 0.73 MRGPRX4 (0.39) MAPTSLC6A4HTTSMN1; SMN2
SCHEMBL5597305 0.73 FPR2 (0.40) FPR2NPC1RAB9ASMN1; 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 6 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
EP-1381431-B1 AROMATASE INHIBITION TO ENHANCE IMPLANTATION RATE ARES TRADING SA (CH) 2007-06-06 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