SCHEMBL8969282

SCHEMBL8969282

Cc1c(Cl)ccc2c1CN1C(=N2)C2CCC1C2

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.34
OPRM1 P35372 8/20 0.33
OPRL1 P41146 8/20 0.33
PDE3B Q13370 3/20 0.33
PDE3A Q14432 3/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31

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
SCHEMBL8969903 0.86 PDE3B (0.45) CTSDOPRM1OPRL1PDE3BPDE3A
SCHEMBL8968760 0.86 PDE3B (0.34) OPRM1OPRL1PDE3BPDE3AHTR2A
SCHEMBL8969508 0.84 PDE3B (0.33) CTSDPDE3BPDE3ALMNACYP1A2
SCHEMBL8970030 0.82 CTSD (0.50) CTSDOPRM1OPRL1PDE3BPDE3A
SCHEMBL8969685 0.81
SCHEMBL8969218 0.80 OPRM1 (0.31) OPRM1OPRL1
SCHEMBL8969608 0.79 OPRM1 (0.33) OPRM1OPRL1
SCHEMBL8969072 0.79 OPRM1 (0.36) CTSDOPRM1OPRL1PDE3BPDE3A
SCHEMBL8968379 0.79 HTR2A (0.38) OPRM1OPRL1HTR2AHTR2CHTR2B
SCHEMBL8969496 0.78 HTR2C (0.36) CTSDOPRM1OPRL1PDE3BPDE3A

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