SCHEMBL11067006

SCHEMBL11067006

CNC1(c2ccc(Cl)cc2)CCC(=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.44
SLC6A3 Q01959 6/20 0.44
SLC6A2 P23975 1/20 0.40
HSD11B1 P28845 3/20 0.38
OPRM1 P35372 2/20 0.38
OPRL1 P41146 2/20 0.38
OPRK1 P41145 1/20 0.38
HDAC4 P56524 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 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
Ethylene SCHEMBL11096036 0.97 SLC6A3 (0.42) SLC6A4SLC6A3SLC6A2HSD11B1OPRM1
SCHEMBL2793612 0.85 OPRM1 (0.48) SLC6A4SLC6A3SLC6A2OPRM1OPRL1
SCHEMBL11097091 0.84 SLC6A4 (0.39) SLC6A4SLC6A3HSD11B1OPRM1OPRL1
Hydrochloric Acid SCHEMBL28043928 0.83 OPRM1 (0.47) SLC6A4SLC6A3SLC6A2OPRM1OPRL1
SCHEMBL11091107 0.82 HSD11B1 (0.41) SLC6A4SLC6A3HSD11B1OPRM1OPRL1
SCHEMBL11092884 0.82 SLC6A4 (0.40) SLC6A4SLC6A3SLC6A2HSD11B1OPRM1
SCHEMBL735724 0.81 MEN1 (0.57) OPRM1OPRL1OPRK1KMT2AMEN1
SCHEMBL11097553 0.81 SLC6A4 (0.62) SLC6A4SLC6A3SLC6A2HDAC3HDAC1
SCHEMBL11092837 0.80 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2HSD11B1OPRM1
Hydrochloric Acid SCHEMBL11093542 0.80 MEN1 (0.55) OPRM1OPRL1OPRK1KMT2AMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4065573-A ANALGESICS THE UPJOHN COMPANY (US) 1977-12-27 US claimed
US-4460604-A ANALGESICS, NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1984-07-17 US disclosed
US-4447454-A Analgetic compounds, compositions and process of treatment THE UPJOHN COMPANY (US) 1984-05-08 US disclosed
US-4180584-A ANALGESIC; NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1979-12-25 US disclosed
US-4113866-A ANALGETIC COMPOUNDS, COMPOSITIONS AND PROCESS OF TREATMENT THE UPJOHN COMPANY (US) 1978-09-12 US disclosed
US-4065573-A ANALGESICS THE UPJOHN COMPANY (US) 1977-12-27 US disclosed