SCHEMBL29698141

SCHEMBL29698141

Cc1cccc([C@H]2CCNC(=O)O2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.47
HSD11B1 P28845 2/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP19A1 P11511 1/20 0.39
MAOB P27338 4/20 0.38
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
PBRM1 Q86U86 1/20 0.37
POLB P06746 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
HDAC4 P56524 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL28957041 1.00 HTR2C (0.47) HTR2CHSD11B1MEN1KMT2ACYP19A1
SCHEMBL28957039 1.00 HTR2C (0.47) HTR2CHSD11B1MEN1KMT2ACYP19A1
SCHEMBL26016432 0.84 MEN1 (0.44) HTR2CHSD11B1MEN1KMT2ACYP19A1
SCHEMBL5021997 0.84 MEN1 (0.44) HTR2CHSD11B1MEN1KMT2ACYP19A1
SCHEMBL5129073 0.84 LMNA (0.41) HTR2CHSD11B1
SCHEMBL4319758 0.84 LMNA (0.41) HTR2CHSD11B1
SCHEMBL1705219 0.80 MAOB (0.42) HSD11B1CYP19A1MAOB
SCHEMBL13950143 0.80 MAOB (0.42) HSD11B1CYP19A1MAOB
SCHEMBL14521456 0.80 MAOB (0.42) HSD11B1CYP19A1MAOB
SCHEMBL29576218 0.76 HSD11B1 (0.48) HTR2CHSD11B1MEN1KMT2ACYP19A1

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
CN-114605272-B Preparation method of (R) -fluoxetine and derivatives thereof 中国科学技术大学 2023-09-08 CN disclosed
CN-114605272-A Preparation method of (R) -fluoxetine and derivative thereof 中国科学技术大学 2022-06-10 CN disclosed