SCHEMBL8328357

SCHEMBL8328357

OC1(CCCc2ccccc2)CC[N]CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.56
OPRL1 P41146 4/20 0.56
OPRD1 P41143 3/20 0.56
OPRK1 P41145 3/20 0.56
SIGMAR1 Q99720 1/20 0.42
CCR5 P51681 5/20 0.42
HDAC3 O15379 1/20 0.39
MAPK1 P28482 1/20 0.39
ADRA1A P35348 1/20 0.39
HDAC4 P56524 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC1 Q13547 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39

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
SCHEMBL5349572 0.82 OPRM1 (0.59) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL5175182 0.79 OPRM1 (0.56) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL2303288 0.78 OPRL1 (0.51) OPRM1OPRL1OPRD1OPRK1ADRA1A
Hydrochloric Acid SCHEMBL7984412 0.78 OPRM1 (0.55) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL7689578 0.76 OPRL1 (0.63) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL28914563 0.75 OPRM1 (0.69) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL8986018 0.73 OPRM1 (0.50) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL8986110 0.73 SIGMAR1 (0.57) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL3091966 0.72 OPRM1 (0.49) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL4204848 0.72 OPRM1 (0.60) OPRM1OPRL1OPRD1OPRK1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5925642-A ANTITUMOR, ANTIMETASTASIS AGENTS; DRUG RESISTANCE MODULATORS; SYNERGISTIC MIXTURES WITH ANTIBIOTICS AND CYTOSTATIC AGENTS; SIDE EFFECT REDUCTION BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-07-20 US disclosed
EP-0863899-A1 PYRIDOPYRIMIDINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1998-09-16 EP disclosed
US-5668131-A CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1997-09-16 US disclosed
WO-1997019946-A1 PYRIDOPYRIMIDINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1997-06-05 WO disclosed