SCHEMBL7203556

SCHEMBL7203556

OC1(c2cnc3ccccc3c2)CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
DRD2 P14416 1/20 0.42
NISCH Q9Y2I1 1/20 0.41
CYP1A2 P05177 1/20 0.41
MGAM O43451 1/20 0.41
RAB9A P51151 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
PDGFRB P09619 2/20 0.37
PDGFRA P16234 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CNR2 P34972 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
FASN P49327 1/20 0.37

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
SCHEMBL9326007 0.79 HTR3A (0.54) CYP1A2MGAMCNR2FASN
SCHEMBL8138956 0.76 FASN (0.46) DRD2MGAMRAB9AAKR1C3AKR1C2
SCHEMBL2272581 0.76 DRD2 (0.53) DRD2CYP1A2
SCHEMBL5553783 0.73 ALDH1A1 (0.51) CHRNB2CHRNA4NISCHCYP1A2MGAM
SCHEMBL28296424 0.72 CYP1A2 (0.47) NISCHCYP1A2MGAMRAB9AAKR1C3
SCHEMBL27558255 0.72 SIGMAR1 (0.40) CHRNB2CHRNA4DRD2CYP1A2SIGMAR1
SCHEMBL7541306 0.72 GPR4 (0.41) CHRNB2CHRNA4NISCHRAB9A
SCHEMBL10083333 0.71 AKR1C3 (0.63) CYP1A2MGAMRAB9AAKR1C3AKR1C2
Hydrochloric Acid SCHEMBL7972419 0.71 GPR4 (0.40) CHRNB2CHRNA4NISCHRAB9A
SCHEMBL306026 0.70 DRD2 (0.64) DRD2SIGMAR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030004207-A1 USE OF COMPOUNDS WHICH ACTIVATE A 5-HT RECEPTOR TO TREAT URINARY INCONTINENCE SYNAPTIC PHARMACEUTICALS CORPORATION 2003-01-02 US disclosed
CN-1315830-A Method for treating anxiety disorders LILLY CO ELI (US) 2001-10-03 CN disclosed
US-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 US disclosed
WO-2000006082-A2 TREATMENT OF ANXIETY DISORDERS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
WO-2000006166-A1 5-HT1F ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed
EP-0976747-A2 Use of 5HT-1F receptor antagonists for treating anxiety disorders ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed