SCHEMBL7729613

SCHEMBL7729613

O=C(N[C@H]1CCN(CCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.53
SIGMAR1 Q99720 1/20 0.50
DRD4 P21917 4/20 0.49
KMT2A Q03164 2/20 0.49
RAB9A P51151 1/20 0.49
EPHX1 P07099 1/20 0.49
EPHX2 P34913 1/20 0.49
HPGD P15428 1/20 0.48
CXCR3 P49682 1/20 0.48
LTA4H P09960 2/20 0.46
KDM1A O60341 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
SCHEMBL7729620 1.00 HSD11B1 (0.53) HSD11B1SIGMAR1DRD4KMT2ARAB9A
SCHEMBL7719776 0.97 HSD11B1 (0.52) HSD11B1SIGMAR1DRD4KMT2ARAB9A
SCHEMBL7719781 0.97 HSD11B1 (0.52) HSD11B1SIGMAR1DRD4KMT2ARAB9A
SCHEMBL7719871 0.94 HSD11B1 (0.59) HSD11B1SIGMAR1DRD4KMT2ARAB9A
SCHEMBL7729574 0.94 HSD11B1 (0.59) HSD11B1SIGMAR1DRD4KMT2ARAB9A
SCHEMBL7719868 0.94 HSD11B1 (0.59) HSD11B1SIGMAR1DRD4KMT2ARAB9A
SCHEMBL7724369 0.90 KMT2A (0.48) DRD4KMT2ARAB9AEPHX1KDM1A
SCHEMBL7724059 0.90 DRD2 (0.50) DRD4KMT2ARAB9AEPHX1CXCR3
SCHEMBL7724365 0.90 KMT2A (0.48) DRD4KMT2ARAB9AEPHX1KDM1A
SCHEMBL7724063 0.90 DRD2 (0.50) DRD4KMT2ARAB9AEPHX1CXCR3

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 4 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 claimed
EP-1125922-A1 PYRROLIDINE COMPOUNDS AND MEDICINAL UTILIZATION THEREOF Welfide Corporation (JP) 2001-08-22 EP claimed
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