SCHEMBL6714762

SCHEMBL6714762

CCCN1CCC(c2cc(NC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2OC)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.68
▸ LMNA P02545 9/20 0.60
▸ SMN1; SMN2 Q16637 6/20 0.60
▸ HSD17B10 Q99714 2/20 0.60
▸ GAA P10253 2/20 0.60
▸ TSHR P16473 3/20 0.57
▸ USP2 O75604 1/20 0.57
▸ TP53 P04637 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ HTT P42858 4/20 0.54
▸ ALDH1A1 P00352 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HTR1A P08908 2/20 0.52
▸ HTR1D P28221 2/20 0.52
▸ HTR1B P28222 2/20 0.52
▸ HTR2A P28223 2/20 0.52
▸ HTR2C P28335 1/20 0.52
▸ HTR6 P50406 1/20 0.52
▸ DCUN1D1 Q96GG9 2/20 0.48

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
SCHEMBL6717901 0.89 HTR1A (0.62) MAPTLMNASMN1; SMN2HSD17B10GAA
SCHEMBL6714953 0.89 CA12 (0.53) MAPTSMN1; SMN2ALDH1A1MAPK1HTR1A
SCHEMBL6716503 0.89 HTR1A (0.53) MAPTLMNASMN1; SMN2GAAHTT
SCHEMBL6714759 0.87 MAPT (0.70) MAPTLMNASMN1; SMN2HSD17B10GAA
SCHEMBL6718482 0.87 SMN1; SMN2 (0.55) MAPTSMN1; SMN2ALDH1A1HTR1AHTR1D
SCHEMBL6717558 0.87 MAPT (0.58) MAPTLMNASMN1; SMN2HSD17B10GAA
SCHEMBL6718699 0.86 HTR1A (0.49) MAPTLMNASMN1; SMN2USP2TP53
SCHEMBL6724729 0.85 HTR1A (0.52) MAPTSMN1; SMN2ALDH1A1MAPK1HTR1A
SCHEMBL6716667 0.84 HTR1A (0.47) MAPTLMNATSHRALDH1A1MAPK1
SCHEMBL6720386 0.84 KDM4E (0.59) MAPTLMNASMN1; SMN2HSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313477-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-03-03 — — EP claimed
EP-1313477-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2003-05-28 — — EP claimed
WO-2002005819-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-01-24 — — WO claimed
EP-1313477-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-03-03 — — EP disclosed
EP-1313477-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2003-05-28 — — EP disclosed
WO-2002005819-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-01-24 — — WO disclosed
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