SCHEMBL8969213

SCHEMBL8969213

Clc1cccc2c1N=C1C3CCC(C3)N1C2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
CTSD P07339 2/20 0.38
OPRL1 P41146 10/20 0.33
OPRM1 P35372 9/20 0.33
HTR2C P28335 4/20 0.33
HTR2A P28223 3/20 0.33
HTR2B P41595 3/20 0.33
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
SLC18A3 Q16572 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 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
SCHEMBL8969639 0.83 OPRL1 (0.33) CTSDOPRL1OPRM1OPRD1OPRK1
SCHEMBL8969723 0.83 HTR2C (0.36) OPRL1OPRM1HTR2CHTR2AHTR2B
SCHEMBL8969189 0.82 ACHE (0.39) ACHECTSDHTR2CHTR2AHTR2B
SCHEMBL8968664 0.81 KLK7 (0.32) HTR2CHTR2A
SCHEMBL8969666 0.80 CTSD (0.34) CTSDOPRL1OPRM1HTR2CHTR2A
SCHEMBL8970030 0.79 CTSD (0.50) ACHECTSDOPRL1OPRM1OPRD1
SCHEMBL8969039 0.78 OPRM1 (0.31) OPRL1OPRM1
SCHEMBL8969608 0.76 OPRM1 (0.33) OPRL1OPRM1
SCHEMBL8970140 0.74 CTSD (0.32) CTSD
SCHEMBL8968500 0.73 NOS1 (0.35)

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