SCHEMBL7724247

SCHEMBL7724247

O=C(N[C@H]1CCN(CCc2ccccc2)C1)C1C2C=CC1C=C2

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.60
MC4R P32245 5/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
DRD4 P21917 4/20 0.51
CXCR3 P49682 1/20 0.49
HTR2A P28223 1/20 0.49
LTA4H P09960 2/20 0.48
DRD2 P14416 1/20 0.48
HPGD P15428 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL7724258 1.00 SIGMAR1 (0.60) SIGMAR1MC4RSMN1; SMN2DRD4CXCR3
SCHEMBL7725101 0.89 SIGMAR1 (0.61) SIGMAR1MC4RSMN1; SMN2DRD4CXCR3
SCHEMBL7725104 0.89 SIGMAR1 (0.61) SIGMAR1MC4RSMN1; SMN2DRD4CXCR3
SCHEMBL7729551 0.88 HTR2A (0.51) SIGMAR1DRD4HTR2ADRD2
SCHEMBL7719806 0.88 HTR2A (0.51) SIGMAR1DRD4HTR2ADRD2
SCHEMBL7724046 0.82 SIGMAR1 (0.54) SIGMAR1MC4RSMN1; SMN2DRD4CXCR3
SCHEMBL7724053 0.82 SIGMAR1 (0.54) SIGMAR1MC4RSMN1; SMN2DRD4CXCR3
SCHEMBL7724049 0.82 SIGMAR1 (0.54) SIGMAR1MC4RSMN1; SMN2DRD4CXCR3
SCHEMBL7724256 0.81 SIGMAR1 (0.57) SIGMAR1MC4RDRD4CXCR3HTR2A
SCHEMBL7724311 0.80 SIGMAR1 (0.56) SIGMAR1MC4RDRD4CXCR3HTR2A

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
US-6337034-B1 COMPOUNDS HAVING WIDE TEMPERATURE RANGE OF LIQUID CRYSTAL PHASE, LOW VISCOSITY, LOW THRESHOLD VOLTAGE AND EXCELLENT STABILITY, WHICH ARE READILY MIXED WITH VARIOUS LIQUID CRYSTAL MATERIALS AND GOOD IN SOLUBILITY AT LOW TEMPERATURE CHISSO CORPORATION (JP) 2002-01-08 US disclosed
EP-0885875-A1 VINYLENE COMPOUNDS AND LIQUID-CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1998-12-23 EP disclosed