SCHEMBL21088960

SCHEMBL21088960

CC(C)(N)CCNC1CC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.34
GNAO1 P09471 2/20 0.34
GNAI1 P63096 2/20 0.34
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL803995 0.80 GNAI3 (0.36) GNAI3GNAO1GNAI1MEN1ALDH1A1
SCHEMBL28831909 0.77 RAD52 (0.39) GNAI3GNAO1GNAI1MEN1ALDH1A1
SCHEMBL477233 0.77 FABP6 (0.44) ALDH1A1LMNA
SCHEMBL21799523 0.76 GNAI3 (0.32) GNAI3GNAO1GNAI1
SCHEMBL28831920 0.76 RAD52 (0.42) LMNA
SCHEMBL12477911 0.75
Hydrochloric Acid SCHEMBL7296519 0.74 ALDH1A1 (0.39) GNAI3GNAO1GNAI1MEN1ALDH1A1
SCHEMBL16817812 0.74 GAA (0.41) MEN1ALDH1A1LMNAGAAALOX12
SCHEMBL12391785 0.71 GNAI3 (0.42) GNAI3GNAO1GNAI1MEN1ALDH1A1
SCHEMBL12156771 0.71 RAD52 (0.37) GNAI3GNAO1GNAI1MEN1ALDH1A1

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