SCHEMBL11073193

SCHEMBL11073193

CCc1ccc(C2(N(C)C)CCC(N(CC)c3ccc(Cl)cc3OC)CC2)c(CC)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
C5AR1 P21730 1/20 0.31
HTR2A P28223 1/20 0.31
NPC1 O15118 1/20 0.30

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
SCHEMBL11071584 0.81 MEN1 (0.39) TSHRMEN1POLBKMT2AC5AR1
SCHEMBL11066779 0.81 TSHR (0.36) TSHRMEN1POLBKMT2AC5AR1
SCHEMBL11071524 0.79 OPRM1 (0.42) TSHR
SCHEMBL11079248 0.78 SLC6A4 (0.36) TSHRMEN1POLBKMT2A
SCHEMBL11078728 0.78 TSHR (0.35) TSHRMEN1POLBKMT2ANPC1
SCHEMBL11072624 0.77 TSHR (0.35) TSHRMEN1POLBKMT2A
SCHEMBL11071790 0.77 TSHR (0.36) TSHRMEN1POLBKMT2A
SCHEMBL11066917 0.77 HTT (0.36) TSHRTP53MEN1POLBKMT2A
SCHEMBL11075481 0.76 OPRM1 (0.38) TSHRMEN1KMT2A
SCHEMBL11071936 0.75 SLC6A4 (0.39) HTR2A

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