SCHEMBL7719868

SCHEMBL7719868

O=C(N[C@@H]1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.59
SIGMAR1 Q99720 1/20 0.56
EPHX1 P07099 2/20 0.52
EPHX2 P34913 2/20 0.52
KMT2A Q03164 2/20 0.52
RAB9A P51151 1/20 0.52
HPGD P15428 1/20 0.51
LTA4H P09960 2/20 0.48
DRD4 P21917 2/20 0.48
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
DRD3 P35462 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
SCHEMBL7729574 1.00 HSD11B1 (0.59) HSD11B1SIGMAR1EPHX1EPHX2KMT2A
SCHEMBL7719871 1.00 HSD11B1 (0.59) HSD11B1SIGMAR1EPHX1EPHX2KMT2A
SCHEMBL7729620 0.94 HSD11B1 (0.53) HSD11B1SIGMAR1EPHX1EPHX2KMT2A
SCHEMBL7729613 0.94 HSD11B1 (0.53) HSD11B1SIGMAR1EPHX1EPHX2KMT2A
SCHEMBL7719781 0.93 HSD11B1 (0.52) HSD11B1SIGMAR1EPHX1EPHX2KMT2A
SCHEMBL7719776 0.93 HSD11B1 (0.52) HSD11B1SIGMAR1EPHX1EPHX2KMT2A
SCHEMBL7724326 0.90 CXCR3 (0.52) HSD11B1SIGMAR1EPHX1KMT2ARAB9A
SCHEMBL7724337 0.90 KMT2A (0.51) HSD11B1EPHX1KMT2ARAB9ADRD4
SCHEMBL7723988 0.90 KMT2A (0.47) HSD11B1SIGMAR1EPHX1EPHX2KMT2A
SCHEMBL7719734 0.90 KMT2A (0.51) HSD11B1EPHX1KMT2ARAB9ADRD4

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