SCHEMBL8307723

SCHEMBL8307723

CCNC1Cc2ccc(NC(=N)C3=CC=CCC3=S)cc2C1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
SMO Q99835 2/20 0.32
APOB P04114 1/20 0.31
MTTP P55157 1/20 0.31
RAB9A P51151 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
SCHEMBL8309546 0.86 FYN (0.47) DRD2SMOAPOBMTTPRAB9A
SCHEMBL8309596 0.85 SMO (0.38) SMOAPOBMTTP
SCHEMBL8307994 0.84 SMO (0.39) SMOAPOBMTTP
SCHEMBL8305510 0.83 CA12 (0.34)
SCHEMBL8306217 0.83 SMO (0.40) SMOAPOBMTTP
SCHEMBL8309243 0.83 MTTP (0.45) SMOAPOBMTTPRAB9A
SCHEMBL8309952 0.82 SMO (0.38) SMOAPOBMTTP
SCHEMBL8306272 0.82 SMO (0.38) SMOAPOBMTTP
SCHEMBL8309245 0.81 SMO (0.32) SMOAPOBMTTP
SCHEMBL7506577 0.80 PNMT (0.44)

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
EP-0759027-B1 BICYCLIC AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHETASE ASTRA AB (SE) 1999-08-04 EP claimed