SCHEMBL29112595

SCHEMBL29112595

CC(=O)NCCc1c[nH]c2cccc(OC(=O)CCCC(=O)O)c12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 14/20 0.69
▸ MTNR1B P49286 14/20 0.69
▸ CYP1A2 P05177 5/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ BLM P54132 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ PKM P14618 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ NQO2 P16083 2/20 0.49
▸ HTR2A P28223 2/20 0.48
▸ NOTUM Q6P988 3/20 0.45
▸ CYP3A4 P08684 4/20 0.44
▸ CYP2D6 P10635 4/20 0.44
▸ HTR2B P41595 2/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44

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
SCHEMBL27085153 0.98 MTNR1A (0.69) MTNR1AMTNR1BCYP1A2MEN1KMT2A
SCHEMBL27085263 0.94 MTNR1A (0.71) MTNR1AMTNR1BCYP1A2MEN1KMT2A
SCHEMBL27085201 0.90 MTNR1A (0.73) MTNR1AMTNR1BCYP1A2MEN1KMT2A
SCHEMBL27084687 0.88 MTNR1A (0.73) MTNR1AMTNR1BCYP1A2MEN1KMT2A
SCHEMBL27084955 0.87 MTNR1A (0.74) MTNR1AMTNR1BCYP1A2MEN1KMT2A
SCHEMBL29112615 0.85 MTNR1A (0.80) MTNR1AMTNR1BCYP1A2MEN1KMT2A
SCHEMBL27085140 0.84 MTNR1A (0.74) MTNR1AMTNR1BCYP1A2MEN1KMT2A
SCHEMBL27085030 0.84 MTNR1A (0.67) MTNR1AMTNR1BCYP1A2MEN1KMT2A
SCHEMBL31024311 0.83 HTR2A (0.64) MTNR1AMTNR1BCYP1A2MEN1KMT2A
SCHEMBL25101551 0.83 HTR2A (0.57) MTNR1AMTNR1BCYP1A2MEN1KMT2A

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
CN-117120415-A Modified indole alkaloids for therapeutic use 指南针探路者有限公司 2023-11-24 — — CN disclosed
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