SCHEMBL25440356

SCHEMBL25440356

C1=N[C@@H](c2cccc3ccccc23)CO1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.47
SLC6A4 P31645 6/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
MTNR1A P48039 2/20 0.37
IDO1 P14902 1/20 0.37
MAPK1 P28482 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
BLM P54132 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP2 O95551 1/20 0.36
ALOX12 P18054 1/20 0.36
CASP3 P42574 1/20 0.36
HTT P42858 1/20 0.36
GALK1 P51570 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 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
SCHEMBL20385738 0.75 TAAR1 (0.51) KDM1AALDH1A1CASP3SENP8SENP7
SCHEMBL28867385 0.75 TAAR1 (0.51) KDM1AALDH1A1CASP3SENP8SENP7
SCHEMBL7747310 0.71 TAAR1 (0.34) ALDH1A1MAPTHPGDNPSR1KDM4E
SCHEMBL19554795 0.71 KDM1A (0.46) KDM1ASLC6A4SLC6A2SLC6A3MTNR1A
SCHEMBL28703337 0.71 KDM1A (0.46) KDM1ASLC6A4SLC6A2SLC6A3MTNR1A
SCHEMBL20385796 0.70 TAAR1 (0.46) KDM1ASLC6A4SLC6A2SLC6A3MAPT
SCHEMBL4723659 0.70 KDM1A (0.45) KDM1ASLC6A4SLC6A2SLC6A3MTNR1A
SCHEMBL20385693 0.70 TAAR1 (0.46) KDM1ASLC6A4SLC6A2SLC6A3MAPT
SCHEMBL3610201 0.70 TAAR1 (0.62)
SCHEMBL3610206 0.70 TAAR1 (0.62)

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-3555100-B1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT AGENEBIO INC (US) 2023-05-10 EP disclosed