SCHEMBL8969087

SCHEMBL8969087

CC1c2ccc(Cl)cc2N=C2C3CCC(C3)N21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 3/20 0.33
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
HRH3 Q9Y5N1 2/20 0.31
TAAR1 Q96RJ0 1/20 0.31
HTR2C P28335 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
GRIA1 P42261 1/20 0.30
GRIA2 P42262 1/20 0.30
GRIA3 P42263 1/20 0.30
GRIA4 P48058 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
SCHEMBL8970145 0.79
SCHEMBL8969499 0.70 CTSD (0.49) HRH3HTR2C
SCHEMBL8970324 0.70 MAT2A (0.33) HRH3
SCHEMBL9381443 0.68 CHRNB2 (0.34) CHRNB2CHRNA4
SCHEMBL8969090 0.68 ACHE (0.45) HRH3
SCHEMBL8969504 0.68 ACHE (0.40) AVPR1AHRH3HTR2CNOS3NOS1
SCHEMBL9386685 0.68 CHRNB2 (0.33) CHRNB2CHRNA4
SCHEMBL9380472 0.68 CHRNB2 (0.33) CHRNB2CHRNA4
SCHEMBL8968679 0.63 CTSD (0.47) HTR2CNOS3NOS1NOS2
SCHEMBL8968326 0.63

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