SCHEMBL4332262

SCHEMBL4332262

C1=COc2c(ccc3[nH]ccc23)C1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
HTR1D P28221 10/20 0.34
HTR1B P28222 7/20 0.34
AHR P35869 1/20 0.32
RHEB Q15382 1/20 0.31
PARP1 P09874 1/20 0.31

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
SCHEMBL1752671 0.68 TDP1 (0.39)
SCHEMBL11437391 0.67 AHR (0.39) DRD2DRD4DRD3HTR1DHTR1B
SCHEMBL29952248 0.66 DRD2 (0.40) DRD2DRD4DRD3HTR1DHTR1B
SCHEMBL2398840 0.65 AHR (0.52) HTR1DHTR1BAHRRHEBPARP1
SCHEMBL30396640 0.64 DRD2 (0.42) DRD2DRD4DRD3HTR1DHTR1B
SCHEMBL4319979 0.63 NQO2 (0.34)
SCHEMBL3900178 0.62 ADRA2A (0.39) DRD2DRD4DRD3AHRPARP1
SCHEMBL29168535 0.61 HTR1D (0.38) DRD2DRD4DRD3HTR1DHTR1B
SCHEMBL277665 0.61
SCHEMBL4328205 0.60 ASH1L (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528164-B2 Substituted 4-aryl-4h-pyrrolo[2,3-h]chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2009-05-05 US claimed
US-6906203-B1 Substituted 4H-chromene and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2005-06-14 US claimed
EP-1230232-B1 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2004-02-25 EP claimed
EP-1230232-A2 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2002-08-14 EP claimed
WO-2001034591-A2 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2001-05-17 WO claimed