SCHEMBL11448307

SCHEMBL11448307

CC1CN(C)CCCC1Oc1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
RAB9A P51151 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LTA4H P09960 1/20 0.36
PTGS2 P35354 1/20 0.36
FPR2 P25090 1/20 0.36
PROKR1 Q8TCW9 1/20 0.36
CHRNA7 P36544 1/20 0.36
TRPC6 Q9Y210 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TAAR1 Q96RJ0 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
SCHEMBL11466350 0.87 HTR2C (0.40) KDM4EALDH1A1SMN1; SMN2HRH3FPR2
SCHEMBL11466696 0.87 HRH3 (0.47) SMN1; SMN2HRH3
SCHEMBL11447888 0.87 HTT (0.45) ALDH1A1RAB9AHRH3HPGD
SCHEMBL11448945 0.85 HRH3 (0.46) SMN1; SMN2HRH3
SCHEMBL11448121 0.85 MAPT (0.42) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL11447694 0.85 HTT (0.36) KDM4EALDH1A1HRH3ATML3MBTL1
SCHEMBL11455667 0.85 FPR2 (0.48) HRH3L3MBTL1FPR2PROKR1
SCHEMBL11458402 0.85 ATM (0.43) ATML3MBTL1CHRNA7
SCHEMBL11466703 0.84 HRH3 (0.44) SMN1; SMN2HRH3
SCHEMBL11448735 0.84 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2RAB9AL3MBTL1

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
US-4225608-A ANTIDEPRESSANTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-09-30 US disclosed
EP-0004288-A2 Phenoxyalkyl amines, pharmaceutical compositions containing them, and process for their preparation MERCK PATENT GmbH (DE) 1979-10-03 EP disclosed