SCHEMBL4750809

SCHEMBL4750809

CC1(C)Cc2cc(S(N)(=O)=O)cc(OCCCN3CCN(c4ccc(F)cc4)CC3)c2O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTR1A P08908 4/20 0.43
HTR2A P28223 4/20 0.43
DRD3 P35462 3/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
DRD1 P21728 1/20 0.43
DRD5 P21918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
HRH1 P35367 2/20 0.42
TMEM97 Q5BJF2 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
ABCB1 P08183 2/20 0.42
HTR2C P28335 1/20 0.42

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
SCHEMBL4752472 0.85 HTR1A (0.53) DRD2HTR1AHTR2ACA1CA2
SCHEMBL4908879 0.85 HTR7 (0.50) DRD2HTR1AHTR2AABCB1HTR2C
SCHEMBL4752410 0.81 HTR2A (0.49) DRD2HTR1AHTR2ADRD3
SCHEMBL4754018 0.79 LMNA (0.41) DRD2ALDH1A1LMNAKDM4EHSD17B10
SCHEMBL4752984 0.78 ALDH1A1 (0.36) DRD2ALDH1A1LMNAKDM4EHSD17B10
SCHEMBL4750506 0.77 AKT1 (0.36) ALDH1A1LMNAKDM4EHTR2A
SCHEMBL4750865 0.75 HTR1A (0.48) DRD2ALDH1A1LMNAKDM4EHTR1A
SCHEMBL4789463 0.73 PPARG (0.44) DRD2ALDH1A1SMN1; SMN2HTR1AHTR2A
SCHEMBL4788339 0.73 KCNH2 (0.50) HTR2ASIGMAR1ABCB1
Hydrochloric Acid SCHEMBL4789354 0.70 HTR1A (0.39) DRD2ALDH1A1LMNAKDM4EHTR1A

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
WO-2008146064-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR (HU) 2008-12-04 WO disclosed