SCHEMBL29279529

SCHEMBL29279529

CCCCSc1c(OC)cc(CCNC(=O)OC(C)(C)C)c(Br)c1OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NSD2 O96028 2/20 0.39
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ NQO2 P16083 1/20 0.37
▸ IDO1 P14902 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ SUV39H2 Q9H5I1 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ KDM4E B2RXH2 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
SCHEMBL29814900 0.89 KMT2A (0.43) LMNAKMT2AMEN1TSHRSMN1; SMN2
SCHEMBL27002004 0.87 SMN1; SMN2 (0.46) LMNAKMT2AMEN1SMN1; SMN2NSD2
SCHEMBL29814853 0.82 MEN1 (0.47) LMNAKMT2AMEN1TSHRHTT
SCHEMBL29279571 0.76 MAPT (0.39) LMNAKMT2AMEN1TSHRSMN1; SMN2
SCHEMBL27002000 0.76 HTR2A (0.48) —
SCHEMBL27002165 0.76 KMT2A (0.45) LMNAKMT2AMEN1SMN1; SMN2NSD2
SCHEMBL14811705 0.76 SMN1; SMN2 (0.62) LMNAKMT2ASMN1; SMN2MTNR1AMTNR1B
SCHEMBL14495036 0.75 NQO2 (0.45) MTNR1AMTNR1BNQO2IDO1SUV39H2
SCHEMBL24163782 0.75 HTR2A (0.57) KMT2ASMN1; SMN2MTNR1AMTNR1BIDO1
SCHEMBL29814777 0.75 NQO2 (0.48) SMN1; SMN2NQO2IDO1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117642379-A Phenylalkylamines and methods of making and using the same 吉尔伽美什制药公司 2024-03-01 — — CN disclosed
EP-4305019-A1 PHENALKYLAMINES AND METHODS OF MAKING AND USING THE SAME Gilgamesh Pharmaceuticals, Inc. (US) 2024-01-17 — — EP disclosed
WO-2022192781-A1 PHENALKYLAMINES AND METHODS OF MAKING AND USING THE SAME GILGAMESH PHARMACEUTICALS, INC. (US) 2022-09-15 — — WO disclosed
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