SCHEMBL7729426

SCHEMBL7729426

O=C(NC1CCN(CCc2ccc(F)cc2)C1)NC1CN2CCC1CC2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CCR3 P51677 5/20 0.48
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR7 P34969 1/20 0.47
HTR6 P50406 1/20 0.47
CHRNA7 P36544 3/20 0.46
CHRM3 P20309 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
RECQL P46063 1/20 0.46
NTMT1 Q9BV86 1/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL7729420 1.00 MEN1 (0.49) MEN1KMT2ACCR3HTR2AHTR2C
SCHEMBL7724269 0.90 CHRNA7 (0.58) KMT2AHTR2ACHRNA7CHRM3CHRM2
SCHEMBL7724275 0.90 CHRNA7 (0.58) KMT2AHTR2ACHRNA7CHRM3CHRM2
SCHEMBL7719858 0.83 HTR2A (0.48) CCR3HTR2AHTR2CHTR7HTR6
SCHEMBL7719866 0.83 HTR2A (0.48) CCR3HTR2AHTR2CHTR7HTR6
SCHEMBL7719863 0.83 HTR2A (0.48) CCR3HTR2AHTR2CHTR7HTR6
SCHEMBL7725182 0.83 CCR3 (0.46) CCR3HTR2AHTR2CHTR7HTR6
SCHEMBL7723148 0.79 HTR2A (0.48) CCR3HTR2AHTR2CHTR7HTR6
SCHEMBL7723143 0.79 HTR2A (0.48) CCR3HTR2AHTR2CHTR7HTR6
SCHEMBL7729553 0.78 HTR2A (0.52) CCR3HTR2AHTR2CHTR7HTR6

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