SCHEMBL7239505

SCHEMBL7239505

CN1CCC(c2ccc(Cl)cc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.73
DRD2 P14416 1/20 0.68
POLB P06746 1/20 0.55
QDPR P09417 1/20 0.55
SLC18A3 Q16572 1/20 0.53
SRD5A1 P18405 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
DRD4 P21917 1/20 0.50
SLC6A3 Q01959 1/20 0.49

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
SCHEMBL7239508 1.00 LSS (0.73) LSSDRD2POLBQDPRSLC18A3
SCHEMBL23442954 0.93 LSS (0.65) LSSDRD2POLBQDPRSLC18A3
SCHEMBL8082343 0.88 LSS (0.60) LSSDRD2SRD5A1SLC6A3
SCHEMBL23134213 0.88 LSS (0.60) LSSDRD2SRD5A1SLC6A3
SCHEMBL16963377 0.83 DRD2 (0.61) LSSDRD2SLC18A3SRD5A1MEN1
SCHEMBL10265387 0.81 DRD2 (0.59) LSSDRD2SLC18A3SRD5A1MEN1
SCHEMBL81500 0.81 QDPR (0.56) LSSDRD2QDPRSLC18A3
SCHEMBL10169266 0.80 QDPR (0.51) LSSDRD2QDPR
SCHEMBL315186 0.79 HTR3A (0.58) LSSDRD2POLBSLC18A3SRD5A1
SCHEMBL24092733 0.79 QDPR (0.55) LSSDRD2QDPRSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6605621-B1 Safe and effective detoxification after treating drug addiction, or diseases wherein cocaine is administered GEORGETOWN UNIVERSITY 2003-08-12 US disclosed