SCHEMBL9437810

SCHEMBL9437810

O=C1C2CCCC2C(=O)N1CCCBr

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HTR1A P08908 3/20 0.39
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ESR1 P03372 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.36
CHRM2 P08172 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD1 P21728 1/20 0.36
TBXA2R P21731 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 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
SCHEMBL9085541 0.94 HTR1A (0.40) ALDH1A1HTR1ADRD2HTR2AMEN1
SCHEMBL9532032 0.90 ALDH1A1 (0.43) ALDH1A1HTR1ADRD2HTR2AMEN1
SCHEMBL28956491 0.90 ALDH1A1 (0.43) ALDH1A1HTR1ADRD2HTR2AMEN1
SCHEMBL17532416 0.83 ALDH1A1 (0.50) ALDH1A1HTR1ADRD2HTR2AMEN1
SCHEMBL10948563 0.81 ALDH1A1 (0.49) ALDH1A1HTR1ADRD2HTR2AMEN1
SCHEMBL17532423 0.81 ALDH1A1 (0.49) ALDH1A1HTR1ADRD2HTR2AMEN1
SCHEMBL5427844 0.78 ALDH1A1 (0.47) ALDH1A1HTR1ADRD2HTR2AMEN1
SCHEMBL17532412 0.78 ALDH1A1 (0.53) ALDH1A1KMT2AHTTRAB9ASMN1; SMN2
SCHEMBL11510536 0.76 HTT (0.51) ALDH1A1HTR1AMEN1KMT2ARECQL
SCHEMBL9516183 0.76 ALDH1A1 (0.44) ALDH1A1HTR1ADRD2HTR2AMEN1

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
US-5296477-A Antidepressants ADIR ET COMPAGNIE (FR) 1994-03-22 US disclosed