SCHEMBL11066779

SCHEMBL11066779

CCN(c1ccc(Cl)cc1OC)C1CCC(c2cc(Cl)cc(Cl)c2)(N(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CRHR1 P34998 3/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
SLC6A2 P23975 1/20 0.31
DPP4 P27487 1/20 0.31
ALDH1A1 P00352 1/20 0.31
C5AR1 P21730 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
EZH2 Q15910 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRL1 P41146 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
SCHEMBL11071524 0.89 OPRM1 (0.42) TSHRSLC6A4SLC6A3DDB1CRBN
SCHEMBL11078728 0.88 TSHR (0.35) TSHRMEN1KMT2APOLBSLC6A4
SCHEMBL11079248 0.88 SLC6A4 (0.36) TSHRMEN1KMT2APOLBSLC6A4
SCHEMBL11066917 0.86 HTT (0.36) TSHRMEN1KMT2APOLBSLC6A4
SCHEMBL11075481 0.86 OPRM1 (0.38) TSHRMEN1KMT2ASLC6A4SLC6A2
SCHEMBL11072624 0.85 TSHR (0.35) TSHRMEN1KMT2APOLBSLC6A4
SCHEMBL11071790 0.84 TSHR (0.36) TSHRMEN1KMT2APOLBSLC6A4
SCHEMBL11071584 0.83 MEN1 (0.39) TSHRMEN1KMT2APOLBSLC6A4
SCHEMBL11069371 0.82 TSHR (0.35) TSHRMEN1KMT2APOLBSLC6A4
SCHEMBL11073193 0.81 TSHR (0.35) TSHRMEN1KMT2APOLBC5AR1

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