SCHEMBL23720822

SCHEMBL23720822

CC(C)c1nc(N2CCN(c3ncccn3)CC2)c2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.50
▸ TSHR P16473 4/20 0.50
▸ GLA P06280 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ RAB9A P51151 3/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ NTSR1 P30989 1/20 0.48
▸ MAPT P10636 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ PPP1CA P62136 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ KMT2A Q03164 3/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ HRH4 Q9H3N8 1/20 0.47

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
SCHEMBL23721107 0.87 MAPT (0.53) L3MBTL1TSHRHPGDHSD17B10RAB9A
SCHEMBL4085081 0.85 HTR3E (0.66) TSHRHPGDHSD17B10MAPTKMT2A
SCHEMBL4085042 0.84 KMT2A (0.61) L3MBTL1TSHRGLAGAAHPGD
SCHEMBL4095705 0.83 KMT2A (0.64) L3MBTL1TSHRGLAGAAHPGD
SCHEMBL4084809 0.81 KDM4E (0.64) TSHRGLAGAAHPGDHSD17B10
SCHEMBL23721036 0.77 MAPT (0.54) L3MBTL1TSHRGAAHPGDHSD17B10
SCHEMBL23720790 0.76 ABCG2 (0.67) MAPTSMN1; SMN2
SCHEMBL23657801 0.76 TLR7 (0.72) L3MBTL1TSHRGLAGAAHPGD
SCHEMBL1083762 0.70 RAB9A (0.77) L3MBTL1TSHRGLAGAAHPGD
SCHEMBL23107995 0.69 OGA (0.43) L3MBTL1TSHRGLAGAAHPGD

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
Send feedback