SCHEMBL7724258

SCHEMBL7724258

O=C(NC1CCN(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
SCHEMBL7724247 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-6468998-B1 ANTAGONIZE SEROTONIN 2 RECEPTORS, SUPPRESS PLATELET AGGREGATION, IMPROVE PERIPHERAL CIRCULATION AND PROMOTE LACHRYMATION MITSUBISHI PHARMA CORPORATION (JP) 2002-10-22 US disclosed
EP-1125922-A1 PYRROLIDINE COMPOUNDS AND MEDICINAL UTILIZATION THEREOF Welfide Corporation (JP) 2001-08-22 EP disclosed