SCHEMBL9153176

SCHEMBL9153176

c1ccc(C2CCCN2C2CCCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.55
CHRNB4 P30926 1/20 0.55
CHRNA3 P32297 1/20 0.55
CHRNA7 P36544 1/20 0.55
CHRNA4 P43681 1/20 0.55
SLC18A3 Q16572 1/20 0.51
HRH3 Q9Y5N1 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
OPRM1 P35372 4/20 0.45
OPRK1 P41145 4/20 0.45
OPRL1 P41146 4/20 0.45
OPRD1 P41143 3/20 0.45
RIPK1 Q13546 1/20 0.44
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL18751629 0.96 SLC18A3 (0.51) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1989282 0.96 SLC18A3 (0.51) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL28558595 0.95 SLC18A3 (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL13660513 0.94 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL9153287 0.94 CHRNB2 (0.52) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL18751630 0.93 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL10770079 0.93 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL10764868 0.91 HRH3 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL17114372 0.91 CHRNB2 (0.52) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL10537341 0.91 CHRNB2 (0.52) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0635000-A4 NOVEL PHENCYCLIDINE DERIVATIVES AND PROTEIN AND POLYPEPTIDE PHENCYCLIDINE DERIVATIVE CONJUGATES AND LABELS. BIOSITE DIAGNOSTICS INC (US) 1995-07-19 EP disclosed
EP-0635000-A1 NOVEL PHENCYCLIDINE DERIVATIVES AND PROTEIN AND POLYPEPTIDE PHENCYCLIDINE DERIVATIVE CONJUGATES AND LABELS BIOSITE DIAGNOSTICS INC. (US) 1995-01-25 EP disclosed
US-5380694-A Thermosensitive recording element INTERNATIONAL PAPER COMPANY (US) 1995-01-10 US disclosed
US-5331109-A Phencyclidine derivatives and protein and polypeptide phencyclidine derivative conjugates and labels BIOSITE DIAGNOSTICS INCORPORATED (US) 1994-07-19 US disclosed
WO-1993020049-A1 NOVEL PHENCYCLIDINE DERIVATIVES AND PROTEIN AND POLYPEPTIDE PHENCYCLIDINE DERIVATIVE CONJUGATES AND LABELS BIOSITE DIAGNOSTICS INCORPORATED (US) 1993-10-14 WO disclosed