SCHEMBL30852855

SCHEMBL30852855

COc1ccc2c(c1)c(CCNC(C)=O)cn2O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.78
MTNR1B P49286 13/20 0.78
NQO2 P16083 4/20 0.78
AKR1C3 P42330 1/20 0.65
HDAC3 O15379 3/20 0.62
HDAC6 Q9UBN7 3/20 0.62
HDAC4 P56524 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
ROCK1 Q13464 1/20 0.60
HTR2B P41595 2/20 0.59
HTR2C P28335 1/20 0.59
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP1A1 P04798 1/20 0.58
MPO P05164 1/20 0.58

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
SCHEMBL1067941 1.00 MTNR1A (0.78) MTNR1AMTNR1BNQO2AKR1C3HDAC3
SCHEMBL5144427 0.88 MTNR1A (1.00) MTNR1AMTNR1BNQO2AKR1C3HDAC3
SCHEMBL27714153 0.86 MTNR1A (0.76) MTNR1AMTNR1BNQO2AKR1C3HDAC3
SCHEMBL3224617 0.86 MTNR1A (0.76) MTNR1AMTNR1BNQO2AKR1C3HDAC3
SCHEMBL1309580 0.86 MTNR1A (0.76) MTNR1AMTNR1BNQO2AKR1C3HDAC3
SCHEMBL8717163 0.85 MTNR1A (0.74) MTNR1AMTNR1BNQO2AKR1C3HDAC3
SCHEMBL25100780 0.84 MTNR1A (0.77) MTNR1AMTNR1BNQO2AKR1C3HDAC3
SCHEMBL194360 0.84 MTNR1A (0.73) MTNR1AMTNR1BNQO2AKR1C3HDAC3
SCHEMBL23950140 0.83 MTNR1A (0.71) MTNR1AMTNR1BNQO2AKR1C3HDAC3
SCHEMBL31543623 0.83 MTNR1A (0.56) MTNR1AMTNR1BNQO2AKR1C3HDAC3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024205363-A1 METHODS FOR PRODUCING RED BLOOD CELLS AND PLATELETS 주식회사 듀셀바이오테라퓨틱스 2024-10-03 WO disclosed
WO-2024076030-A1 METHOD FOR PRODUCING PLATELETS 주식회사 듀셀바이오테라퓨틱스 2024-04-11 WO disclosed