SCHEMBL8969097

SCHEMBL8969097

COC(C)OCc1ccc(Br)cc1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.40
NAAA Q02083 1/20 0.40
PYCR1 P32322 1/20 0.40
BMP1 P13497 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MTNR1B P49286 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CCR5 P51681 1/20 0.36
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IDO1 P14902 1/20 0.35
AGXT P21549 1/20 0.35
HPD P32754 1/20 0.35

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
SCHEMBL8800216 0.87 APLNR (0.38) APLNRBMP1RAB9AMAPTMEN1
SCHEMBL19129488 0.85 PYCR1 (0.43) APLNRNAAAPYCR1BMP1NPC1
SCHEMBL582358 0.79 PYCR1 (0.46) NAAAPYCR1NPC1RAB9AMTNR1B
SCHEMBL29506818 0.79 PYCR1 (0.46) NAAAPYCR1NPC1RAB9AMTNR1B
SCHEMBL27686599 0.75 NAAA (0.48) NAAAPYCR1NPC1RAB9AMEN1
SCHEMBL23148174 0.73 PYCR1 (0.42) NAAAPYCR1BMP1NPC1RAB9A
SCHEMBL26205621 0.73 FPR2 (0.40) APLNRNAAABMP1MTNR1BMAPT
SCHEMBL2093599 0.73 PYCR1 (0.44) NAAAPYCR1NPC1RAB9AMTNR1B
SCHEMBL8421522 0.72 PYCR1 (0.41) NAAAPYCR1NPC1RAB9AMTNR1B
SCHEMBL21203176 0.72 PYCR1 (0.41) APLNRNAAAPYCR1BMP1MTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696284-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-02-14 EP disclosed