SCHEMBL11066917

SCHEMBL11066917

CCOc1ccc(C2(N(C)C)CCC(N(CC)c3ccc(Cl)cc3OC)CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
OPRM1 P35372 5/20 0.35
OPRL1 P41146 5/20 0.35
MAPT P10636 5/20 0.34
KMT2A Q03164 3/20 0.34
TSHR P16473 1/20 0.34
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
MEN1 O00255 2/20 0.31
POLB P06746 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
SLC6A2 P23975 1/20 0.31
TUBB4A P04350 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
SCHEMBL11071524 0.93 OPRM1 (0.42) OPRM1OPRL1TSHRSLC6A4SLC6A3
SCHEMBL11078728 0.88 TSHR (0.35) OPRM1OPRL1MAPTKMT2ATSHR
SCHEMBL11066779 0.86 TSHR (0.36) OPRM1OPRL1KMT2ATSHRALDH1A1
SCHEMBL11079248 0.86 SLC6A4 (0.36) MAPTKMT2ATSHRALDH1A1SLC6A4
SCHEMBL11072624 0.85 TSHR (0.35) MAPTKMT2ATSHRKDM4ESLC6A4
SCHEMBL11071790 0.84 TSHR (0.36) MAPTKMT2ATSHRALDH1A1SLC6A4
SCHEMBL11069371 0.82 TSHR (0.35) LMNANPSR1MAPTKMT2ATSHR
SCHEMBL11075481 0.81 OPRM1 (0.38) OPRM1OPRL1KMT2ATSHRSLC6A4
SCHEMBL11068867 0.80 CRHR1 (0.34) TSHR
SCHEMBL11078669 0.80 OPRM1 (0.40) OPRM1OPRL1SLC6A4

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