SCHEMBL8969666

SCHEMBL8969666

Clc1ccc(Cl)c2c1CN1C(=N2)C2CCC1C2

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.34
OPRM1 P35372 4/20 0.32
OPRL1 P41146 4/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 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
SCHEMBL8968225 0.92 CTSD (0.33) CTSDHTR2AHTR2CHTR2B
SCHEMBL8969072 0.89 OPRM1 (0.36) CTSDOPRM1OPRL1OPRD1OPRK1
SCHEMBL8968334 0.81 HTR2A (0.31) CTSDHTR2AHTR2CHTR2B
SCHEMBL8970030 0.81 CTSD (0.50) CTSDOPRM1OPRL1OPRD1OPRK1
SCHEMBL8969639 0.80 OPRL1 (0.33) CTSDOPRM1OPRL1OPRD1OPRK1
SCHEMBL8969213 0.80 ACHE (0.40) CTSDOPRM1OPRL1HTR2AHTR2C
SCHEMBL8969903 0.80 PDE3B (0.45) CTSDOPRM1OPRL1LMNACYP1A2
SCHEMBL8969282 0.78 CTSD (0.34) CTSDOPRM1OPRL1HTR2AHTR2C
SCHEMBL8968379 0.78 HTR2A (0.38) OPRM1OPRL1HTR2AHTR2CHTR2B
SCHEMBL8969145 0.77

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