SCHEMBL8220788

SCHEMBL8220788

Cc1ccc(C2(c3noc(CN4CCC(c5cccc(C(F)(F)F)n5)CC4)n3)CCCCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.64
MEN1 O00255 5/20 0.64
ALDH1A1 P00352 2/20 0.64
MAPT P10636 2/20 0.55
LMNA P02545 2/20 0.55
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.43
RBP1 P09455 3/20 0.43
DRD4 P21917 7/20 0.41
HTR1A P08908 6/20 0.41
DRD2 P14416 5/20 0.41
KCNH2 Q12809 4/20 0.41

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
SCHEMBL8222201 0.99 KMT2A (0.65) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL8212358 0.96 KMT2A (0.60) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL8224487 0.92 KMT2A (0.54) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL8220136 0.92 MEN1 (0.53) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL8214020 0.91 KMT2A (0.54) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL8221259 0.91 MEN1 (0.54) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL8220164 0.90 MEN1 (0.54) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL8223212 0.89 MEN1 (0.51) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL8213895 0.87 MEN1 (0.49) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL8213141 0.83 KMT2A (0.57) KMT2AMEN1ALDH1A1MAPTLMNA

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
WO-2008050200-A1 OXADIAZOLE COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-05-02 WO disclosed