SCHEMBL21101190

SCHEMBL21101190

C[C@@H]1C[C@H]1NCC1CCN(Cc2ccc(C(=O)O)c(Cl)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 14/20 0.53
MAOB P27338 2/20 0.53
DRD2 P14416 1/20 0.53
HTR2A P28223 1/20 0.53
SLC6A4 P31645 1/20 0.53
SCN5A Q14524 1/20 0.53
HDAC6 Q9UBN7 3/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
KCNH2 Q12809 1/20 0.45
CACNA1I Q9P0X4 1/20 0.45
SIGMAR1 Q99720 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A12 P48065 1/20 0.43
HTR4 Q13639 1/20 0.43
CCR3 P51677 1/20 0.43

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
SCHEMBL21101005 0.88 KDM1A (0.50) KDM1AMAOBDRD2HTR2ASLC6A4
SCHEMBL12813712 0.86 KDM1A (0.74) KDM1AMAOBDRD2HTR2ASLC6A4
SCHEMBL12821659 0.86 KDM1A (0.74) KDM1AMAOBDRD2HTR2ASLC6A4
SCHEMBL24437711 0.84 KDM1A (0.72) KDM1AMAOBDRD2HTR2ASLC6A4
SCHEMBL19092429 0.84 KDM1A (0.72) KDM1AMAOBDRD2HTR2ASLC6A4
SCHEMBL21101104 0.77 SIGMAR1 (0.50) KDM1AMAOBDRD2HTR2ASLC6A4
SCHEMBL21055897 0.75 KDM1A (0.70) KDM1AMAOBDRD2HTR2ASLC6A4
SCHEMBL12821566 0.74 KDM1A (0.73) KDM1AMAOBDRD2HTR2ASLC6A4
SCHEMBL12821564 0.74 KDM1A (0.73) KDM1AMAOBDRD2HTR2ASLC6A4
SCHEMBL28246592 0.72 HTT (0.55) SIGMAR1MEN1KMT2A

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-2688568-B1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-06-19 EP disclosed