SCHEMBL7937623

SCHEMBL7937623

C=C(NC(c1ccccc1)C1(N2CCCC2)CCC1)c1ccc(C(C)(F)F)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
SLC6A9 P48067 6/20 0.31
OPRM1 P35372 2/20 0.31
OPRD1 P41143 2/20 0.31
OPRK1 P41145 2/20 0.31
OPRL1 P41146 2/20 0.31
NPC1 O15118 2/20 0.31
MTTP P55157 4/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
LMNA P02545 1/20 0.30
HPGD P15428 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
SCHEMBL1350402 0.79 MTTP (0.45) CYP1A2CYP2D6CYP2C9SLC6A9MTTP
SCHEMBL1348399 0.74 SLC6A9 (0.50) SLC6A9MTTP
SCHEMBL7938683 0.71 MEN1 (0.39) SLC6A9NPC1
SCHEMBL1348590 0.70 SLC6A9 (0.49) SLC6A9MTTP
SCHEMBL1350222 0.70 SLC6A9 (0.49) SLC6A9MTTP
SCHEMBL1349648 0.70 SLC6A9 (0.44) SLC6A9
SCHEMBL1349947 0.70 KLRK1 (0.41) SLC6A9MTTP
SCHEMBL1349793 0.70 SLC6A9 (0.52) SLC6A9LMNA
SCHEMBL1349364 0.69 SLC6A9 (0.53) SLC6A9NPC1MTTPHPGD
SCHEMBL1347772 0.69 SLC6A9 (0.53) CYP2D6SLC6A9MTTP

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
WO-2010020548-A1 GLYT1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-02-25 WO disclosed