SCHEMBL11075246

SCHEMBL11075246

CCN(c1ccc(Cl)cc1OC)C1CCC(c2cccc(O)c2)(N(C)C(C)C2CCCCC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.35
SLC6A4 P31645 6/20 0.35
SLC6A2 P23975 4/20 0.35
TSHR P16473 1/20 0.35
PSEN1 P49768 3/20 0.33
PSEN2 P49810 3/20 0.33
APH1B Q8WW43 3/20 0.33
NCSTN Q92542 3/20 0.33
APH1A Q96BI3 3/20 0.33
PSENEN Q9NZ42 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
HTR3A P46098 3/20 0.33
POLB P06746 1/20 0.33
OPRL1 P41146 1/20 0.32

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
SCHEMBL11075481 0.87 OPRM1 (0.38) OPRM1SLC6A4SLC6A2TSHRMEN1
SCHEMBL11069869 0.85 OPRM1 (0.36) OPRM1SLC6A4SLC6A2TSHRMEN1
SCHEMBL11075248 0.84 OPRM1 (0.35) OPRM1SLC6A4SLC6A2TSHRMEN1
SCHEMBL11076803 0.83 OPRM1 (0.35) OPRM1SLC6A4SLC6A2TSHRMEN1
SCHEMBL11071918 0.82 OPRM1 (0.36) OPRM1SLC6A4SLC6A2TSHRMEN1
SCHEMBL11070717 0.82 OPRM1 (0.38) OPRM1SLC6A4SLC6A2TSHROPRD1
SCHEMBL11069877 0.81 OPRM1 (0.35) OPRM1SLC6A4SLC6A2TSHRMEN1
SCHEMBL11079742 0.81 OPRM1 (0.36) OPRM1SLC6A4SLC6A2HTR3AOPRL1
SCHEMBL11071938 0.81 OPRK1 (0.40) OPRM1SLC6A4SLC6A2OPRD1OPRK1
SCHEMBL11070716 0.74 OPRM1 (0.34) OPRM1SLC6A4SLC6A2TSHROPRK1

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-4447454-A Analgetic compounds, compositions and process of treatment THE UPJOHN COMPANY (US) 1984-05-08 US disclosed
US-4113866-A ANALGETIC COMPOUNDS, COMPOSITIONS AND PROCESS OF TREATMENT THE UPJOHN COMPANY (US) 1978-09-12 US disclosed