SCHEMBL4597165

SCHEMBL4597165

[CH2]C1Cc2cc(-c3ccc(OC)cc3)cc(F)c2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ABCB1 P08183 2/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
DYRK1A Q13627 1/20 0.34
NAAA Q02083 2/20 0.34
MAOB P27338 2/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL4595544 0.86 CYP1A1 (0.40) NAAAMAOBDHODHRPS6KA3
SCHEMBL4597169 0.85 KDM4E (0.40) NPC1RAB9AMAPK1SMN1; SMN2TP53
SCHEMBL4597245 0.85 FFAR4 (0.31)
SCHEMBL4596968 0.84 KDM1A (0.36) CYP11B1CYP11B2
SCHEMBL5583552 0.82 AHR (0.33)
SCHEMBL6047929 0.81 BACE1 (0.42) NPC1RAB9ASMN1; SMN2ABCB1ABL1
SCHEMBL4226570 0.81 PRKAB2 (0.48) NPC1RAB9AMAPK1SMN1; SMN2TP53
SCHEMBL4595373 0.80 MAOB (0.38) NPC1RAB9AABCB1ABL1BCR
SCHEMBL4596465 0.76 ALDH1A1 (0.37) NPC1RAB9AABCB1ABL1BCR
SCHEMBL4595474 0.76 PARP10 (0.34) NPC1RAB9ASMN1; SMN2TP53CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
WO-2007030150-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH (US) 2007-03-15 WO disclosed
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP disclosed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 WO disclosed