SCHEMBL24267354

SCHEMBL24267354

O=C(NC1CCCCC1)c1cccnn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.54
▸ HSD11B1 P28845 1/20 0.53
▸ GRM5 P41594 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ RAB9A P51151 6/20 0.50
▸ S1PR1 P21453 1/20 0.50
▸ AR P10275 1/20 0.50
▸ CNR2 P34972 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ NPC1 O15118 5/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ HTT P42858 1/20 0.49

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
SCHEMBL28236619 0.92 P2RX7 (0.59) P2RX7HSD11B1GRM5ALDH1A1RAB9A
SCHEMBL29421283 0.85 P2RX7 (0.51) P2RX7GRM5RAB9AARCNR2
SCHEMBL19132713 0.82 RORC (0.49) P2RX7HSD11B1GRM5KDM4EGAA
SCHEMBL19445811 0.80 HSD11B1 (0.71) HSD11B1GRM5ALDH1A1KDM4ERAB9A
SCHEMBL28111220 0.80 P2RX7 (0.49) P2RX7GRM5ALDH1A1ARCNR2
SCHEMBL29421288 0.80 P2RX7 (0.49) P2RX7RAB9AARCNR2NPC1
SCHEMBL2590689 0.79 GRM5 (0.80) GRM5ALDH1A1KDM4EGAACYP1A2
SCHEMBL22449377 0.79 GRM5 (0.80) GRM5ALDH1A1KDM4EGAACYP1A2
SCHEMBL19132716 0.79 RORC (0.47) P2RX7HSD11B1GRM5KDM4EGAA
SCHEMBL2246381 0.78 GRM5 (0.82) GRM5KDM4EGAACYP1A2KMT2A

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-3957633-A1 A CLASS OF BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUNDS FOR TARGETED DEGRADATION OF ANDROGEN RECEPTORS AND USE THEREOF Hinova Pharmaceuticals Inc. (CN) 2022-02-23 — — EP disclosed
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