SCHEMBL21088397

SCHEMBL21088397

COC(=O)c1ccc(CN2CC3(CC(N(C(=O)C(F)(F)F)C4CC4)C3)C2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MGLL Q99685 2/20 0.35
FAAH O00519 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RORC P51449 2/20 0.35
HPGD P15428 1/20 0.35
HDAC11 Q96DB2 1/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2D6 P10635 2/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GPR183 P32249 1/20 0.34
HIF1A Q16665 1/20 0.33

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
SCHEMBL21089303 0.88 KDM4E (0.43) KDM4EALDH1A1CYP3A4SMN1; SMN2
SCHEMBL18182770 0.81 KDM1A (0.40) USP2MGLLFAAHKDM4EALDH1A1
SCHEMBL21088839 0.80 KDM1A (0.41) USP2CYP1A2CYP2C9CYP2C19MGLL
SCHEMBL21088529 0.79 ALDH1A1 (0.43) USP2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL21088780 0.77 POLB (0.39) USP2MGLLFAAHALDH1A1HPGD
SCHEMBL21088634 0.75 GPR119 (0.38) USP2CYP1A2CYP2C9CYP2C19MGLL
SCHEMBL21089283 0.73 OPRM1 (0.40) USP2CYP1A2CYP2C9CYP2C19MGLL
SCHEMBL25924019 0.71
SCHEMBL21089292 0.71 TSHR (0.45) USP2CYP1A2ALDH1A1CYP3A4CYP2D6
SCHEMBL21088890 0.69 NR1I2 (0.30) RORC

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