SCHEMBL21089292

SCHEMBL21089292

COC(=O)c1ccc(CN2CCC3(CC2)CC(N(C(=O)C(F)(F)F)C2CC2)C3)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
USP2 O75604 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2D6 P10635 7/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 4/20 0.40
CYP1A2 P05177 1/20 0.40
HIF1A Q16665 1/20 0.39
CCR8 P51685 2/20 0.38
KCNH2 Q12809 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 2/20 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
SCHEMBL21088529 0.92 ALDH1A1 (0.43) TSHRUSP2SMN1; SMN2MEN1KMT2A
SCHEMBL18182858 0.81 TSHR (0.40) TSHRUSP2SMN1; SMN2MEN1KMT2A
SCHEMBL21089303 0.76 KDM4E (0.43) SMN1; SMN2MEN1KMT2AALDH1A1CYP3A4
SCHEMBL18183055 0.74 KDM1A (0.40) TSHRUSP2SMN1; SMN2MEN1KMT2A
SCHEMBL21088526 0.74 OPRM1 (0.39) TSHRUSP2SMN1; SMN2MEN1KMT2A
SCHEMBL2624494 0.73 L3MBTL1 (0.59) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL15033008 0.73 ALDH1A1 (0.50) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL21088568 0.72 CYP2D6 (0.46) TSHRUSP2SMN1; SMN2CYP2D6ALDH1A1
SCHEMBL23652681 0.72 OPRM1 (0.41) TSHRSMN1; SMN2MEN1KMT2ACYP2D6
SCHEMBL21088397 0.71 USP2 (0.36) TSHRUSP2SMN1; SMN2CYP2D6ALDH1A1

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