SCHEMBL7975285

SCHEMBL7975285

CC[C@@H](C)N1CNc2ccncc21

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 1/20 0.32
CACNA1B Q00975 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
CDK4 P11802 4/20 0.30
CDK6 Q00534 2/20 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
SCHEMBL24669482 0.83 USP2 (0.32)
SCHEMBL14543317 0.74
SCHEMBL25094288 0.72 HTR2A (0.33) CHRNB2CHRNA4
SCHEMBL20690889 0.72 ADORA2A (0.41)
SCHEMBL7977462 0.71 GAA (0.35) CHRNB2CHRNA4
SCHEMBL24597194 0.64 AVPR1A (0.37)
SCHEMBL24800360 0.61 HTR2A (0.35) CHRNB2CHRNA4
SCHEMBL261803 0.61 MAOA (0.40) CDK4CDK6
SCHEMBL7273301 0.61 CYP3A4 (0.32) CACNA1BCHRNB2CHRNA4
SCHEMBL17953966 0.60 HTR2A (0.40) CHRNB2CHRNA4

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
WO-2009147476-A1 NOVEL PDE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION MATRIX LABORATORIES LTD. (IN) 2009-12-10 WO disclosed