SCHEMBL30274792

SCHEMBL30274792

NC(=O)C1CCCN(CCc2c[nH]c3ccccc23)C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
RAB9A P51151 2/20 0.58
HTR2A P28223 1/20 0.51
HPGD P15428 2/20 0.50
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.47
MAPK1 P28482 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MTNR1A P48039 2/20 0.47
HTR6 P50406 3/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL26134277 0.86 GAA (0.49) SMN1; SMN2RAB9AHTR2AHPGDKMT2A
SCHEMBL30274696 0.83 HTR2A (0.57) RAB9AHTR2AHPGDKMT2AALDH1A1
SCHEMBL11681100 0.80 RAB9A (0.61) SMN1; SMN2RAB9AHTR2AHPGDKMT2A
SCHEMBL27191698 0.79 CYP2C19 (0.63) SMN1; SMN2RAB9AHTR2AHPGDADRA2A
SCHEMBL10849936 0.76 ADRA2A (0.64) HTR2AADRA2AADRA2BADRA2CADRA1D
SCHEMBL10679736 0.75 RAB9A (0.92) SMN1; SMN2RAB9AHTR2AHPGDKMT2A
SCHEMBL4098340 0.75 CCR2 (0.41) HTR2AADRA2AADRA2BADRA2CADRA1D
SCHEMBL4703615 0.74 ACE (0.47) RAB9AHTR2AHPGDALDH1A1HDAC8
SCHEMBL27206530 0.73 CYP2C19 (0.78) SMN1; SMN2RAB9AHTR2AADRA2AADRA2B
SCHEMBL27191675 0.73 CYP2C19 (0.78) SMN1; SMN2RAB9AHTR2AADRA2AADRA2B

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-4142714-A1 N-ACETYLSEROTONIN DERIVATIVES AS TRKB ACTIVATORS AND USES THEREOF Emory University (US) 2023-03-08 EP disclosed