SCHEMBL8005868

SCHEMBL8005868

CCc1ccccc1NC(=O)NCC(c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.60
▸ CCR3 P51677 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.56
▸ TAS1R3 Q7RTX0 1/20 0.55
▸ TAS1R1 Q7RTX1 1/20 0.55
▸ HTT P42858 1/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ GAA P10253 1/20 0.50
▸ MAPT P10636 2/20 0.49
▸ CASR P41180 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ L3MBTL1 Q9Y468 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
SCHEMBL8532166 0.87 CCR3 (0.56) POLBCCR3ALDH1A1TAS1R3TAS1R1
SCHEMBL9504011 0.85 HTT (0.52) HTT
SCHEMBL444179 0.80 CASR (0.74) POLBCCR3ALDH1A1TAS1R3TAS1R1
SCHEMBL29580443 0.80 HTT (0.72) POLBALDH1A1TAS1R3TAS1R1HTT
SCHEMBL9717979 0.80 HTT (0.72) POLBALDH1A1TAS1R3TAS1R1HTT
SCHEMBL8010644 0.77 CASR (0.51) CCR3HTTKMT2AMEN1MAPT
SCHEMBL6322814 0.77 MAPT (0.60) POLBALDH1A1TAS1R3TAS1R1MAPT
SCHEMBL14559554 0.77 PKM (0.49) POLBKMT2AMEN1CASRPKM
SCHEMBL948318 0.76 MAPT (0.59) POLBALDH1A1TAS1R3TAS1R1HTT
SCHEMBL11028218 0.76 HTT (0.77) POLBALDH1A1TAS1R3TAS1R1HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6060484-A Anti-viral method ELI LILLY AND COMPANY (US) 2000-05-09 — — US disclosed
EP-0806205-A2 Urea, thiourea and guanidine compounds and their use as anti-viral agents ELI LILLY AND COMPANY (US) 1997-11-12 — — EP disclosed
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