SCHEMBL7255368

SCHEMBL7255368

CN1CC=CCC1c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
SLC6A4 P31645 5/20 0.42
DRD2 P14416 1/20 0.42
KDM1A O60341 1/20 0.41
EGFR P00533 8/20 0.40
ERBB2 P04626 8/20 0.40
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
ERBB3 P21860 1/20 0.37
KDR P35968 1/20 0.37
PTK2 Q05397 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36

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
SCHEMBL7812867 0.71 CHRNB2 (0.52) CHRNB2CHRNA4SLC6A4DRD2EGFR
SCHEMBL28607372 0.68 DRD2 (0.43) SLC6A4DRD2KDM1AEGFRERBB2
SCHEMBL13535359 0.66 SLC6A4 (0.46) SLC6A4DRD2KDM1AEGFRERBB2
SCHEMBL15826853 0.66 SLC6A4 (0.46) SLC6A4DRD2KDM1AEGFRERBB2
SCHEMBL12648041 0.66 SLC6A4 (0.46) SLC6A4DRD2KDM1AEGFRERBB2
SCHEMBL13535357 0.66 SLC6A4 (0.46) SLC6A4DRD2KDM1AEGFRERBB2
SCHEMBL6684881 0.65 KDM1A (0.53) SLC6A4DRD2KDM1ASLC6A2SLC6A3
SCHEMBL3311195 0.65 SLC6A4 (0.45) SLC6A4DRD2KDM1ASLC6A2SLC6A3
SCHEMBL7256238 0.65 DRD2 (0.69) SLC6A4DRD2KDM1AMTNR1A
SCHEMBL30465966 0.65 SLC6A4 (0.46) SLC6A4DRD2KDM1ASLC6A2SLC6A3

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-6642228-B1 Treating ocular tension, carcinoma, sarcoma, tumentia, circulatory disease, or hypertension TORAY INDUSTRIES, INC. (JP) 2003-11-04 US disclosed
EP-1106605-A1 ALPHA1B-ADRENERGIC RECEPTOR ANTAGONISTS TORAY INDUSTRIES, INC. (JP) 2001-06-13 EP disclosed