SCHEMBL8968570

SCHEMBL8968570

FC(F)(F)c1cccc2c1N=C1C3CCC(C3)N1C2

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.36
HTR2A P28223 3/20 0.36
HTR2B P41595 3/20 0.36
CTSD P07339 2/20 0.32
C5AR1 P21730 9/20 0.31
PARP1 P09874 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL8969213 0.80 ACHE (0.40) HTR2CHTR2AHTR2BCTSD
SCHEMBL8969723 0.80 HTR2C (0.36) HTR2CHTR2AHTR2B
SCHEMBL8969623 0.80 HTR2C (0.36) HTR2CHTR2AHTR2BCTSDCHRNB2
SCHEMBL8969639 0.72 OPRL1 (0.33) CTSD
SCHEMBL8968874 0.72 CTSD (0.41) HTR2CHTR2AHTR2BCTSDCHRNB2
SCHEMBL8968749 0.68 CTSD (0.38) CTSDPARP1
SCHEMBL8969463 0.67 HTR2A (0.33) HTR2CHTR2AHTR2B
SCHEMBL8968664 0.67 KLK7 (0.32) HTR2CHTR2A
SCHEMBL8970250 0.66 HTR2C (0.32) HTR2CHTR2AHTR2B
SCHEMBL8969666 0.66 CTSD (0.34) HTR2CHTR2AHTR2BCTSD

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