SCHEMBL23739590

SCHEMBL23739590

CCc1cc(OCCCCOc2cccc3c2CN(C(CCC=O)C(=O)NC)C3=O)c2ccccc2n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 1/20 0.34
▸ AGTR1 P30556 3/20 0.34
▸ AGTR2 P50052 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ P2RY12 Q9H244 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 2/20 0.32
▸ LPAR3 Q9UBY5 2/20 0.32
▸ LPAR1 Q92633 1/20 0.32
▸ HTR3E A5X5Y0 2/20 0.32
▸ HTR3B O95264 2/20 0.32
▸ HTR3A P46098 2/20 0.32
▸ HTR3D Q70Z44 2/20 0.32
▸ HTR3C Q8WXA8 2/20 0.32
▸ GAA P10253 1/20 0.31

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
SCHEMBL23740098 0.92 ADAM17 (0.35) ACKR3LMNAPOLBMAPTGAA
SCHEMBL23739968 0.86 IDO1 (0.37) ACKR3LMNAPOLBMAPTTHRB
SCHEMBL23739656 0.86 IDO1 (0.38) ACKR3LMNAPOLBTHRBGAA
SCHEMBL23739714 0.85 ADAM17 (0.39) —
SCHEMBL23739667 0.84 POLB (0.35) LMNAPOLBMAPTTHRBGAA
SCHEMBL23739649 0.84 ACKR3 (0.37) ACKR3AGTR1AGTR2P2RY12MAPT
SCHEMBL23740057 0.82 SMN1; SMN2 (0.35) —
SCHEMBL23739890 0.81 POLB (0.35) LMNAPOLBMAPTTHRBGAA
SCHEMBL24572202 0.81 POLB (0.35) LMNAPOLBMAPTTHRBGAA
SCHEMBL23739521 0.80 POLB (0.35) LMNAPOLBMAPTTHRBGAA

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
EP-3862348-A1 ISOINDOLINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2021-08-11 — — EP disclosed
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