SCHEMBL11076134

SCHEMBL11076134

C=CCN(CCC)C1CCC(c2ccc(Br)cc2)(N(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.38
OPRM1 P35372 9/20 0.37
OPRL1 P41146 9/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
PYCR1 P32322 1/20 0.37
HTR1B P28222 1/20 0.36
LSS P48449 1/20 0.35
HTR1A P08908 1/20 0.34

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
SCHEMBL11077463 0.86 OPRM1 (0.46) HTR1DOPRM1OPRL1HTR1A
SCHEMBL11075002 0.85 HTR1D (0.36) HTR1DOPRM1OPRL1HTR1BLSS
SCHEMBL11067219 0.82 HTR1D (0.38) HTR1DHTR1BHTR1A
SCHEMBL11076865 0.81 HTR1D (0.36) HTR1DHTR1BHTR1A
SCHEMBL11075507 0.80 HTR1D (0.39) HTR1DHTR1BLSSHTR1A
SCHEMBL11070194 0.79 HTR1D (0.37) HTR1DHTR1BHTR1A
SCHEMBL11076941 0.78 HTR1D (0.40) HTR1DOPRM1OPRD1OPRK1HTR1B
SCHEMBL11076146 0.78 HTR1D (0.36) HTR1DOPRM1OPRL1HTR1BHTR1A
SCHEMBL11075429 0.77 HTR1D (0.34) HTR1DHTR1BHTR1A
SCHEMBL11073002 0.75 KCNN4 (0.36) HTR1DHTR1BHTR1A

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