SCHEMBL4439011

SCHEMBL4439011

CC(C)N1CCC(c2noc(-c3ccc4c(c3)CCN(S(C)(=O)=O)C4)n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.55
▸ KMT2A Q03164 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ USP7 Q93009 1/20 0.43
▸ HTR4 Q13639 1/20 0.43
▸ ESR1 P03372 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PLAT P00750 1/20 0.40
▸ POLB P06746 1/20 0.39

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
SCHEMBL3184635 0.86 HTT (0.50) HTTKMT2ALMNAUSP7ESR1
SCHEMBL13531824 0.74 ESR1 (0.42) HTTKMT2ALMNAESR1ESR2
Hydrochloric Acid SCHEMBL3181917 0.73 ESR1 (0.42) HTTKMT2ALMNAESR1ESR2
SCHEMBL2901525 0.73 POLB (0.60) HTTKMT2ALMNAUSP7HTR4
SCHEMBL3186533 0.72 S1PR1 (0.47) ESR1ESR2KDM2B
SCHEMBL26187340 0.72 HTT (0.67) HTTKMT2ALMNAUSP7KDM4E
SCHEMBL3181559 0.72 GPR119 (0.40) ESR1ESR2GPR119KDM2B
SCHEMBL2900452 0.72 NPC1 (0.57) HTTKMT2ALMNAUSP7HTR4
SCHEMBL13135846 0.72 USP7 (0.55) HTTKMT2ALMNAUSP7HTR4
Hydrochloric Acid SCHEMBL3828123 0.72 HTR4 (0.59) HTTKMT2ALMNAUSP7HTR4

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
EP-2114890-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-11-11 — — EP claimed
WO-2008097428-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2008-08-14 — — WO claimed
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