SCHEMBL11076992

SCHEMBL11076992

CCC1CCN(C2CCC(c3ccccc3C)(N(C)C)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.48
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
HTR2B P41595 1/20 0.37
GRIN2B Q13224 4/20 0.36
KCNH2 Q12809 2/20 0.36
CCR3 P51677 3/20 0.35
BCHE P06276 1/20 0.35

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
SCHEMBL11078319 0.85 OPRL1 (0.41) OPRL1HTR2AHRH1HTR2BGRIN2B
SCHEMBL11070178 0.83 OPRL1 (0.51) OPRL1HTR2AGRIN2BKCNH2
SCHEMBL11066576 0.79 OPRL1 (0.36) OPRL1
SCHEMBL11071372 0.76 OPRL1 (0.39) OPRL1HTR2AHTR2BCCR3
SCHEMBL11073882 0.75 OPRL1 (0.52) OPRL1CCR3
SCHEMBL11081934 0.74 OPRL1 (0.51) OPRL1
SCHEMBL11069516 0.73 OPRL1 (0.50) OPRL1
SCHEMBL11074571 0.73 OPRL1 (0.46) OPRL1CCR3BCHE
SCHEMBL11070148 0.72 OPRL1 (0.49) OPRL1
SCHEMBL11077902 0.72 SLC6A4 (0.39) OPRL1HTR2AHRH1HTR2B

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