SCHEMBL21089251

SCHEMBL21089251

C/C(=C\C1CC1NCC1CCNCC1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 18/20 0.60
MAOB P27338 10/20 0.53
MAOA P21397 5/20 0.53
KDM1B Q8NB78 3/20 0.42
GBA1 P04062 1/20 0.37

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
Hydrochloric Acid SCHEMBL18172700 0.99 KDM1A (0.59) KDM1AMAOBMAOAKDM1BGBA1
Hydrochloric Acid SCHEMBL18172695 0.99 KDM1A (0.59) KDM1AMAOBMAOAKDM1BGBA1
SCHEMBL18172639 0.81 KDM1A (0.43) KDM1AMAOB
SCHEMBL18172642 0.81 KDM1A (0.43) KDM1AMAOB
SCHEMBL18172751 0.75 KDM1A (1.00) KDM1AMAOBMAOAKDM1BGBA1
SCHEMBL18181913 0.75 KDM1A (1.00) KDM1AMAOBMAOAKDM1BGBA1
SCHEMBL18172754 0.75 KDM1A (1.00) KDM1AMAOBMAOAKDM1BGBA1
SCHEMBL18181850 0.75 KDM4E (0.61) KDM1A
Hydrochloric Acid SCHEMBL18172587 0.74 KDM1A (0.97) KDM1AMAOBMAOAKDM1BGBA1
Hydrochloric Acid SCHEMBL18172584 0.74 KDM1A (0.97) KDM1AMAOBMAOAKDM1BGBA1

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-3286172-B1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed