SCHEMBL8970324

SCHEMBL8970324

CC1(C)c2ccc(Cl)cc2N=C2C3CCC(C3)N21

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.33
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
OPRM1 P35372 1/20 0.31
CTSD P07339 2/20 0.31
HRH3 Q9Y5N1 1/20 0.30
SRD5A1 P18405 5/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL8968401 0.75 OPRM1 (0.34) OPRM1CTSD
SCHEMBL8970594 0.74
SCHEMBL8969499 0.72 CTSD (0.49) CTSDHRH3
SCHEMBL8969087 0.70 AVPR1A (0.33) HRH3
SCHEMBL8969090 0.68 ACHE (0.45) HRH3
SCHEMBL8969504 0.67 ACHE (0.40) CTSDHRH3
SCHEMBL8968679 0.65 CTSD (0.47) CTSD
SCHEMBL8968326 0.62
SCHEMBL8968376 0.62 ACHE (0.44) DRD3SLC6A3OPRM1CTSD
SCHEMBL8970145 0.62

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-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed