SCHEMBL4752959

SCHEMBL4752959

CC1(C)Cc2cc(Cl)cc(OCCCCl)c2O1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
FFAR4 Q5NUL3 9/20 0.47
NPC1 O15118 1/20 0.36
HTR1A P08908 2/20 0.35
DRD2 P14416 1/20 0.35
ADRA1A P35348 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL18649397 0.85 HTR2A (0.49) HTR2AFFAR4ALDH1A1LMNA
SCHEMBL4750508 0.84 FFAR4 (0.36) HTR2AFFAR4NPC1HTR1AALDH1A1
SCHEMBL17523384 0.82 HTR2A (0.49) HTR2AFFAR4ALDH1A1LMNA
SCHEMBL4751070 0.80 ALDH1A1 (0.41) FFAR4NPC1ALDH1A1LMNA
SCHEMBL4753146 0.80 HTR2A (0.47) HTR2AFFAR4NPC1ALDH1A1
SCHEMBL4750506 0.79 AKT1 (0.36) HTR2AFFAR4NPC1ALDH1A1LMNA
SCHEMBL7963661 0.78 NPC1 (0.55) NPC1HTR1AALDH1A1LMNA
SCHEMBL4752450 0.77 LMNA (0.36) FFAR4NPC1ALDH1A1LMNA
SCHEMBL16111361 0.77 FFAR4 (0.47) HTR2AFFAR4ALDH1A1
SCHEMBL23667766 0.75 NPC1 (0.44) HTR2AFFAR4NPC1ALDH1A1LMNA

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