SCHEMBL20248043

SCHEMBL20248043

Cc1ccc(N2CCC(N3CCOCC3)CC2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ACVR1 Q04771 6/20 0.49
BMPR1B O00238 1/20 0.49
BMPR1A P36894 1/20 0.49
ACVR1B P36896 1/20 0.49
TGFBR1 P36897 1/20 0.49
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MBTD1 Q05BQ5 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL16440176 0.90 HSD11B1 (0.51) L3MBTL3L3MBTL1ACVR1BMPR1BBMPR1A
SCHEMBL23107276 0.86 MAP4K4 (0.47) L3MBTL3L3MBTL1ACVR1BMPR1BBMPR1A
SCHEMBL255401 0.86 MAPT (0.55) L3MBTL1MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL20248039 0.85 L3MBTL3 (0.64) L3MBTL3L3MBTL1MBTD1HRH3ALDH1A1
SCHEMBL18054450 0.84 TRPV6 (0.49) L3MBTL3L3MBTL1HRH3MEN1KMT2A
SCHEMBL16427580 0.84 CHRNB2 (0.51) L3MBTL3L3MBTL1ACVR1BMPR1BBMPR1A
SCHEMBL29437377 0.84 L3MBTL3 (0.50) L3MBTL3L3MBTL1ACVR1BMPR1BBMPR1A
SCHEMBL2723240 0.84 L3MBTL3 (0.50) L3MBTL3L3MBTL1ACVR1BMPR1BBMPR1A
SCHEMBL23103536 0.83 L3MBTL3 (0.46) L3MBTL3L3MBTL1ACVR1BMPR1BBMPR1A
SCHEMBL23108989 0.83 L3MBTL3 (0.46) L3MBTL3L3MBTL1ACVR1BMPR1BBMPR1A

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-2018106729-A1 PRESERVATION OF IMMUNE RESPONSE DURING CHEMOTHERAPY REGIMENS G1 THERAPEUTICS, INC. (US) 2018-06-14 WO disclosed