SCHEMBL8970250

SCHEMBL8970250

Cc1ccc(C)c2c1CN1C(=N2)C2CCC1C2

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL8969072 0.89 OPRM1 (0.36)
SCHEMBL8969608 0.89 OPRM1 (0.33)
SCHEMBL8968760 0.80 PDE3B (0.34) HTR2CHTR2BHTR2A
SCHEMBL8969496 0.80 HTR2C (0.36) HTR2CHTR2BHTR2A
SCHEMBL8969723 0.80 HTR2C (0.36) HTR2CHTR2BHTR2A
SCHEMBL8969145 0.80
SCHEMBL8969508 0.78 PDE3B (0.33)
SCHEMBL8969666 0.77 CTSD (0.34) HTR2CHTR2BHTR2A
SCHEMBL8968350 0.75
SCHEMBL8969463 0.74 HTR2A (0.33) HTR2CHTR2BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO disclosed