SCHEMBL8722000

SCHEMBL8722000

CC(C)(C)C(CC(=O)N1C(=O)OCC1c1ccccc1)c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PTPN1 P18031 2/20 0.36
▸ AVPR1A P37288 4/20 0.35
▸ NAAA Q02083 1/20 0.35
▸ IL6ST P40189 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RIPK1 Q13546 1/20 0.32

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
SCHEMBL7888208 1.00 CRHBP (0.38) CRHBPCRHR2NPC1LMNATP53
SCHEMBL7950843 0.88 CRHBP (0.38) CRHBPCRHR2NPC1LMNATP53
SCHEMBL6958547 0.88 CRHBP (0.38) CRHBPCRHR2NPC1LMNATP53
SCHEMBL6956625 0.88 CRHBP (0.38) CRHBPCRHR2NPC1LMNATP53
SCHEMBL7408072 0.83 NPC1 (0.38) NPC1LMNATP53HPGDRAB9A
SCHEMBL8724457 0.83 NPC1 (0.38) NPC1LMNATP53HPGDRAB9A
SCHEMBL8724413 0.80 CRHBP (0.38) CRHBPCRHR2NPC1LMNATP53
SCHEMBL6956827 0.78 CRHBP (0.39) CRHBPCRHR2NPC1LMNATP53
SCHEMBL7945756 0.78 CRHBP (0.39) CRHBPCRHR2NPC1LMNATP53
SCHEMBL6950253 0.78 CRHBP (0.39) CRHBPCRHR2NPC1LMNATP53

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
US-5852195-A Pyranone compounds useful to treat retroviral infections PHARMACIA & UPJOHN COMPANY (US) 1998-12-22 — — US disclosed
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