SCHEMBL11069371

SCHEMBL11069371

CCCN(CCC)C1(c2ccc(Cl)cc2)CCC(N(CC)c2ccc(Cl)cc2OC)CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
CRHR1 P34998 8/20 0.35
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
POLB P06746 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
SCHEMBL11068867 0.94 CRHR1 (0.34) TSHRCRHR1
SCHEMBL11071790 0.93 TSHR (0.36) TSHRCRHR1ALDH1A1KMT2AMEN1
SCHEMBL11074056 0.91 CRHR1 (0.33) TSHRCRHR1
SCHEMBL11071588 0.89 CRHR1 (0.34) TSHRCRHR1NPSR1KMT2AMEN1
SCHEMBL11072624 0.86 TSHR (0.35) TSHRMAPK1KMT2AMEN1MAPT
SCHEMBL11078728 0.85 TSHR (0.35) TSHRKMT2AMEN1MAPTSLC6A4
SCHEMBL11071524 0.84 OPRM1 (0.42) TSHRSLC6A4SLC6A3
SCHEMBL11081480 0.84 CRHR1 (0.33) CRHR1
SCHEMBL11079248 0.83 SLC6A4 (0.36) TSHRALDH1A1CYP2D6CYP2C9KMT2A
SCHEMBL11076403 0.83 CRHR1 (0.35) TSHRCRHR1ALDH1A1

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