SCHEMBL18183178

SCHEMBL18183178

C/C(=C\c1ccccc1)C1CC1NC1CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 13/20 0.57
USP30 Q70CQ3 3/20 0.42
NAMPT P43490 1/20 0.40
RORC P51449 1/20 0.40
GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL18183160 0.89 KDM1A (0.61) KDM1AUSP30GPR119
SCHEMBL18173263 0.85 KDM1A (0.66) KDM1A
SCHEMBL18173265 0.85 KDM1A (0.66) KDM1A
SCHEMBL18182633 0.80 KDM1A (0.73) KDM1A
SCHEMBL18182597 0.80 KDM1A (0.73) KDM1A
SCHEMBL18182985 0.80 KDM1A (0.73) KDM1A
SCHEMBL18183147 0.80 KDM1A (0.73) KDM1A
SCHEMBL18182141 0.80 KDM1A (0.73) KDM1A
SCHEMBL18173453 0.80 KDM1A (0.47) KDM1ANAMPTGPR119
SCHEMBL18173454 0.80 KDM1A (0.47) KDM1ANAMPTGPR119

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 2 patents. 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
WO-2016172496-A1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-10-27 WO disclosed