SCHEMBL21088780

SCHEMBL21088780

Cc1ccc(CN2CC3(CC(N(C(=O)C(F)(F)F)C4CC4)C3)C2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CCR2 P41597 2/20 0.39
GRIN2B Q13224 2/20 0.38
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
COMT P21964 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
USP2 O75604 2/20 0.34
HPGD P15428 1/20 0.34
P2RX7 Q99572 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL21089283 0.90 OPRM1 (0.40) ALDH1A1FAAHMGLLUSP2P2RX7
SCHEMBL21088529 0.78 ALDH1A1 (0.43) POLBCCR2ALDH1A1SMN1; SMN2USP2
SCHEMBL21088397 0.77 USP2 (0.36) ALDH1A1SMN1; SMN2FAAHMGLLUSP2
SCHEMBL25924019 0.76
SCHEMBL21089303 0.74 KDM4E (0.43) MAPTALDH1A1SMN1; SMN2
SCHEMBL20106999 0.74 CYP3A4 (0.32)
SCHEMBL21088839 0.73 KDM1A (0.41) MGLLUSP2
SCHEMBL20106862 0.72
SCHEMBL20106745 0.72 ITGB3 (0.30)
SCHEMBL21088402 0.71

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