SCHEMBL3902114

SCHEMBL3902114

Cc1cccc(CCN)c1-c1cccs1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 8/20 0.52
LTA4H P09960 3/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL1133289 0.80 MGAM (0.47) LTA4HSMN1; SMN2MAPTNPSR1POLB
SCHEMBL3903078 0.78 LTA4H (0.38) LTA4HSMN1; SMN2MAPTTP53POLB
SCHEMBL3905440 0.76 HIF1A (0.40) SMN1; SMN2MAPTTP53POLBGAA
SCHEMBL7040229 0.74 LTA4H (0.57) TAAR1LTA4HHTR1DHTR1BHTR2A
SCHEMBL3907483 0.73 TAAR1 (0.52) TAAR1HTR2ASMN1; SMN2MAPTNPSR1
SCHEMBL27760631 0.73 HTR1D (0.40) TAAR1LTA4HHTR1DHTR1BMAPT
SCHEMBL6371894 0.73 CD44 (0.45) LTA4HSMN1; SMN2MAPTPOLBTDP1
SCHEMBL11869781 0.72 ALDH1A1 (0.47) LTA4HSMN1; SMN2MAPTPOLBTDP1
SCHEMBL3907346 0.71 TAAR1 (0.53) TAAR1HTR2ASMN1; SMN2MAPTNPSR1
SCHEMBL28222648 0.71 LTA4H (0.57) LTA4HSMN1; SMN2MAPTTP53TDP1

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-2018364-A1 THERAPEUTIC FLUOROETHYL UREAS Allergan, Inc. (US) 2009-01-28 EP disclosed
WO-2007137029-A1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN, INC. (US) 2007-11-29 WO disclosed