SCHEMBL8969774

SCHEMBL8969774

Cc1cccc2c1CN1C(=N2)C2CC3CC(C2)CC1C3

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.36
HTR2B P41595 3/20 0.36
HTR2A P28223 1/20 0.34
CTSD P07339 1/20 0.32
CNR2 P34972 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 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
SCHEMBL8969063 0.84 CHRNB2 (0.36) CTSD
SCHEMBL8968432 0.84 CTSD (0.48) HTR2CHTR2BHTR2ACTSDLMNA
SCHEMBL8969496 0.82 HTR2C (0.36) HTR2CHTR2BHTR2ACTSDLMNA
SCHEMBL8969710 0.81 HTR2C (0.38) HTR2CHTR2BHTR2ACTSD
SCHEMBL8969095 0.78 HTR2C (0.36) HTR2CHTR2BHTR2ACNR2
SCHEMBL9540235 0.77 CTSD (0.47) CTSDLMNACYP3A4CYP2D6PDE3B
SCHEMBL8968559 0.76 PDE3B (0.44) CTSDPDE3BPDE3A
SCHEMBL8968791 0.73 HTR2A (0.34) HTR2CHTR2BHTR2APDE3BPDE3A
SCHEMBL8969577 0.73 CTSD (0.34) HTR2CHTR2BHTR2ACTSD
SCHEMBL8968564 0.71 CTSD (0.30) CTSD

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 3 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
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO disclosed