SCHEMBL11078728

SCHEMBL11078728

CCN(c1ccc(Cl)cc1OC)C1CCC(c2ccc(Br)cc2)(N(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.33
OPRM1 P35372 5/20 0.33
OPRL1 P41146 4/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
DRD4 P21917 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A2 P23975 1/20 0.32
CCR5 P51681 2/20 0.31
NPC1 O15118 1/20 0.30
AGPAT2 O15120 3/20 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
SCHEMBL11071524 0.91 OPRM1 (0.42) TSHROPRM1OPRL1SLC6A4SLC6A3
SCHEMBL11066779 0.88 TSHR (0.36) TSHROPRM1OPRL1SLC6A4SLC6A3
SCHEMBL11066917 0.88 HTT (0.36) TSHRMAPTOPRM1OPRL1SLC6A4
SCHEMBL11079248 0.88 SLC6A4 (0.36) TSHRMAPTSLC6A4SLC6A3MEN1
SCHEMBL11072624 0.86 TSHR (0.35) TSHRMAPTSLC6A4SLC6A3MEN1
SCHEMBL11071790 0.86 TSHR (0.36) TSHRMAPTSLC6A4SLC6A3MEN1
SCHEMBL11069371 0.85 TSHR (0.35) TSHRMAPTSLC6A4SLC6A3MEN1
SCHEMBL11075481 0.83 OPRM1 (0.38) TSHROPRM1OPRL1OPRD1OPRK1
SCHEMBL11068867 0.82 CRHR1 (0.34) TSHR
SCHEMBL11071584 0.80 MEN1 (0.39) TSHRSLC6A4SLC6A3MEN1POLB

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