SCHEMBL8969710

SCHEMBL8969710

FC(F)(F)c1cccc2c1CN1C(=N2)C2CC3CC(C2)CC1C3

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.38
HTR2B P41595 6/20 0.38
HTR2A P28223 5/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
CTSD P07339 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
SCHEMBL8969623 0.84 HTR2C (0.36) HTR2CHTR2BHTR2ACHRNB2CHRNA4
SCHEMBL8969063 0.83 CHRNB2 (0.36) CHRNB2CHRNA4CTSD
SCHEMBL8968432 0.81 CTSD (0.48) HTR2CHTR2BHTR2ACTSD
SCHEMBL8969774 0.81 HTR2C (0.36) HTR2CHTR2BHTR2ACTSD
SCHEMBL8969113 0.81 CTSD (0.32) CTSD
SCHEMBL8968449 0.80 HTR2C (0.38) HTR2CHTR2BHTR2ACHRNB2CHRNA4
SCHEMBL8969573 0.74 HTR2C (0.32) HTR2CHTR2B
SCHEMBL9540235 0.74 CTSD (0.47) CTSD
SCHEMBL8968559 0.73 PDE3B (0.44) CTSD
SCHEMBL8969065 0.72 CTSD (0.51) HTR2CHTR2BHTR2ACHRNB2CHRNA4

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
EP-0597956-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1994-05-25 EP disclosed