SCHEMBL6437508

SCHEMBL6437508

CCCC(c1ncc[nH]1)c1cc(C(=O)Nc2ccccc2)ccc1OCc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.47
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
LRRK2 Q5S007 4/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
SMPD1 P17405 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
TP53 P04637 1/20 0.41
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
HPSE Q9Y251 1/20 0.41

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
SCHEMBL4642685 0.93 FPR2 (0.47) FPR2NPC1RAB9ACASP3SENP7
SCHEMBL4642228 0.88 FPR2 (0.44) FPR2MEN1KMT2AMAPTPOLB
SCHEMBL5597305 0.83 FPR2 (0.40) FPR2NPC1RAB9ASMPD1SMN1; SMN2
SCHEMBL5597310 0.81 FPR2 (0.44) FPR2SMPD1
SCHEMBL2353614 0.79 CYP24A1 (0.46) NPC1RAB9ACASP3SENP7MEN1
SCHEMBL4642066 0.77 CCR5 (0.39) FPR2MAPTLRRK2
SCHEMBL4640765 0.76 FPR2 (0.40) FPR2NPC1RAB9ASMPD1SMN1; SMN2
SCHEMBL6437512 0.75 LRRK2 (0.45) FPR2NPC1RAB9ACASP3SENP7
SCHEMBL2352201 0.74 CYP24A1 (0.46) NPC1RAB9ACASP3SENP7MEN1
SCHEMBL4642686 0.73 NPC1 (0.45) FPR2NPC1RAB9ACASP3SENP7

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-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