SCHEMBL10080510

SCHEMBL10080510

O=C(O)c1ccc2cc(CCCC3CCCC3)ccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.57
▸ GRIN2A Q12879 1/20 0.57
▸ GRIN2B Q13224 1/20 0.57
▸ GRIN2C Q14957 1/20 0.57
▸ BCHE P06276 1/20 0.44
▸ DHODH Q02127 2/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ TBXAS1 P24557 1/20 0.41
▸ SPHK1 Q9NYA1 2/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ DRD4 P21917 2/20 0.40
▸ PPM1D O15297 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ LNPEP Q9UIQ6 1/20 0.39
▸ KDM2B Q8NHM5 1/20 0.39
▸ MEN1 O00255 1/20 0.39

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
SCHEMBL2197741 0.82 PPM1D (0.53) PPM1D
SCHEMBL27712207 0.78 MCL1 (0.41) SPHK1KMT2APPM1DLNPEP
SCHEMBL10080509 0.76 GRIN2D (0.66) GRIN2DGRIN2AGRIN2BGRIN2CDHODH
SCHEMBL11071411 0.76 GRIN2D (0.70) GRIN2DGRIN2AGRIN2BGRIN2CKMT2A
SCHEMBL10081274 0.75 GRIN2D (0.68) GRIN2DGRIN2AGRIN2BGRIN2CKMT2A
SCHEMBL18917571 0.75 GRIN2D (0.64) GRIN2DGRIN2AGRIN2BGRIN2CDHODH
SCHEMBL7331987 0.74 GRIN2D (0.67) GRIN2DGRIN2AGRIN2BGRIN2CKMT2A
SCHEMBL7342564 0.74 GRIN2D (0.67) GRIN2DGRIN2AGRIN2BGRIN2CKMT2A
SCHEMBL2403600 0.74 GRIN2D (0.67) GRIN2DGRIN2AGRIN2BGRIN2CKMT2A
SCHEMBL8303752 0.74 GRIN2D (0.67) GRIN2DGRIN2AGRIN2BGRIN2CKMT2A

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-2012019106-A2 POSITIVE AND NEGATIVE MODULATORS OF NMDA RECEPTORS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2012-02-09 — — WO disclosed
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