SCHEMBL7725104

SCHEMBL7725104

O=C(NC1CCN(CCc2ccccc2)C1)C1C2CCC1CC2

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.61
MC4R P32245 5/20 0.54
DRD4 P21917 4/20 0.52
HTR2A P28223 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CXCR3 P49682 1/20 0.50
LTA4H P09960 2/20 0.49
DRD2 P14416 1/20 0.49
HPGD P15428 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL7725101 1.00 SIGMAR1 (0.61) SIGMAR1MC4RDRD4HTR2ASMN1; SMN2
SCHEMBL7724247 0.89 SIGMAR1 (0.60) SIGMAR1MC4RDRD4HTR2ASMN1; SMN2
SCHEMBL7724258 0.89 SIGMAR1 (0.60) SIGMAR1MC4RDRD4HTR2ASMN1; SMN2
SCHEMBL7724049 0.88 SIGMAR1 (0.54) SIGMAR1MC4RDRD4HTR2ASMN1; SMN2
SCHEMBL7724053 0.88 SIGMAR1 (0.54) SIGMAR1MC4RDRD4HTR2ASMN1; SMN2
SCHEMBL7724046 0.88 SIGMAR1 (0.54) SIGMAR1MC4RDRD4HTR2ASMN1; SMN2
SCHEMBL7729559 0.88 HTR2A (0.52) SIGMAR1DRD4HTR2ADRD2
SCHEMBL7729553 0.88 HTR2A (0.52) SIGMAR1DRD4HTR2ADRD2
SCHEMBL7729555 0.84 SIGMAR1 (0.55) SIGMAR1MC4RDRD4HTR2ACXCR3
SCHEMBL7719834 0.84 SIGMAR1 (0.55) SIGMAR1MC4RDRD4HTR2ACXCR3

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