SCHEMBL23721036

SCHEMBL23721036

Cc1cccc(N2CCN(c3nc(C(C)C)nc4ccccc34)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.54
▸ ABCG2 Q9UNQ0 5/20 0.51
▸ NTSR1 P30989 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ ADRB1 P08588 1/20 0.46
▸ KCNH2 Q12809 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ PPP1CA P62136 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 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
SCHEMBL23720790 0.87 ABCG2 (0.67) MAPTABCG2
SCHEMBL4085081 0.80 HTR3E (0.66) MAPTALDH1A1KDM4EHPGDTSHR
SCHEMBL4085042 0.80 KMT2A (0.61) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL4095705 0.79 KMT2A (0.64) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL23720822 0.77 L3MBTL1 (0.50) MAPTNTSR1ALDH1A1KDM4EHPGD
SCHEMBL4084809 0.77 KDM4E (0.64) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL23721107 0.75 MAPT (0.53) MAPTNTSR1ALDH1A1KDM4EHPGD
SCHEMBL11096302 0.73 KCNH2 (0.73) MAPTALDH1A1HPGDGAAADRB1
SCHEMBL11103700 0.72 ADRB1 (0.74) MAPTALDH1A1ADRB1KCNH2RAB9A
SCHEMBL10373770 0.72 ADRB1 (0.74) MAPTALDH1A1ADRB1KCNH2RAB9A

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-2938608-B1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD BURNHAM MED RES INST (US) 2021-08-04 — — EP disclosed
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