SCHEMBL11076219

SCHEMBL11076219

CCCN(c1cc(C)cc(C)c1)C1CCC(c2ccc(Cl)c(OC)c2)(N(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
SLC6A4 P31645 5/20 0.34
SLC6A3 Q01959 5/20 0.34
CRHR1 P34998 4/20 0.33
ALDH1A1 P00352 3/20 0.31
MAPT P10636 2/20 0.31
PGR P06401 1/20 0.31
CYP2C9 P11712 2/20 0.30
MAPK1 P28482 2/20 0.30
CYP2D6 P10635 1/20 0.30
ALOX15 P16050 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL11073199 0.84 OPRM1 (0.45) SLC6A4SLC6A3CRHR1
SCHEMBL11073495 0.80 PGR (0.33) PGR
SCHEMBL11077431 0.79 OPRM1 (0.36)
SCHEMBL11071655 0.79 SLC6A4 (0.53) L3MBTL1SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL11072243 0.79 OPRL1 (0.33) CRHR1ALDH1A1MAPTMEN1POLB
SCHEMBL11074662 0.77 SLC6A4 (0.32) SLC6A4SLC6A3PGR
SCHEMBL11077880 0.77 OPRM1 (0.39) SLC6A4MEN1KMT2A
SCHEMBL11079248 0.76 SLC6A4 (0.36) L3MBTL1SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL11079381 0.76 PGR (0.31) ALDH1A1PGR
SCHEMBL11078604 0.75 SLC6A4 (0.32) SLC6A4SLC6A3PGR

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