SCHEMBL11078293

SCHEMBL11078293

CN1CCN(C2CCC(c3ccc(Br)cc3)(N(C)C)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 10/20 0.56
OPRM1 P35372 6/20 0.39
OPRK1 P41145 3/20 0.39
OPRD1 P41143 2/20 0.39
ALDH1A1 P00352 1/20 0.36
DUSP3 P51452 1/20 0.36
PTPN5 P54829 1/20 0.36
PTPN11 Q06124 1/20 0.36
CCR1 P32246 1/20 0.35
TACR1 P25103 1/20 0.35
SLC6A4 P31645 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
L3MBTL3 Q96JM7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PIM1 P11309 1/20 0.33

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
SCHEMBL11070850 0.83 OPRL1 (0.53) OPRL1OPRM1ALDH1A1SLC6A4L3MBTL1
SCHEMBL11073882 0.82 OPRL1 (0.52) OPRL1OPRM1OPRK1OPRD1CCR1
SCHEMBL11073750 0.80 OPRL1 (0.50) OPRL1OPRM1DUSP3PTPN5PTPN11
SCHEMBL11066053 0.77 OPRL1 (0.49) OPRL1OPRM1TACR1SLC6A4
SCHEMBL11069281 0.77 OPRL1 (0.46) OPRL1OPRM1OPRK1OPRD1CCR1
SCHEMBL11077290 0.76 OPRD1 (0.55) OPRL1OPRM1OPRK1OPRD1
SCHEMBL11078979 0.76 OPRL1 (0.45) OPRL1OPRM1ALDH1A1CCR1TACR1
SCHEMBL11076835 0.75 OPRL1 (0.44) OPRL1OPRM1DUSP3PTPN11SLC6A4
SCHEMBL11075757 0.74 OPRL1 (0.43) OPRL1OPRM1CCR1TACR1SLC6A4
SCHEMBL11073972 0.74 OPRL1 (0.40) OPRL1OPRM1CCR1TACR1SLC6A4

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