SCHEMBL22876014

SCHEMBL22876014

BN(C)CC(C)C(CC)c1cccc(C)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 1/20 0.55
OPRM1 P35372 1/20 0.55
AOC3 Q16853 2/20 0.42
TAAR1 Q96RJ0 1/20 0.38
CYP19A1 P11511 3/20 0.35
ACP3 P15309 1/20 0.33
ACHE P22303 1/20 0.32
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 2/20 0.32
HKDC1 Q2TB90 1/20 0.31
CCR5 P51681 1/20 0.31
HPGD P15428 1/20 0.30
TDP1 Q9NUW8 1/20 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
SCHEMBL15024192 0.88 SLC22A1 (0.70) SLC22A1OPRM1AOC3TAAR1ACP3
SCHEMBL13886378 0.88 SLC22A1 (0.70) SLC22A1OPRM1AOC3TAAR1ACP3
SCHEMBL12311676 0.88 SLC22A1 (0.70) SLC22A1OPRM1AOC3TAAR1ACP3
SCHEMBL15471670 0.78 SLC22A1 (0.49) SLC22A1OPRM1AOC3TAAR1ACP3
SCHEMBL15471682 0.78 SLC22A1 (0.45) SLC22A1OPRM1AOC3TAAR1CYP19A1
SCHEMBL15471683 0.78 SLC22A1 (0.45) SLC22A1OPRM1AOC3TAAR1CYP19A1
SCHEMBL28105608 0.75 SLC22A1 (0.41) SLC22A1OPRM1AOC3TAAR1CYP19A1
SCHEMBL6411376 0.75 SLC22A1 (0.70) SLC22A1OPRM1AOC3SLC6A2SLC6A4
SCHEMBL15471658 0.72 OPRM1 (0.43) SLC22A1OPRM1AOC3ACP3ACHE
SCHEMBL14683339 0.72 OPRM1 (0.43) SLC22A1OPRM1AOC3ACP3ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3377049-B1 CRYSTALLINE FORMS OF TAPENTADOL SALTS AND PROCESS FOR PREPARATION THEREOF MSN LABORATORIES PRIVATE LTD (IN) 2021-01-06 EP disclosed