SCHEMBL11797650

SCHEMBL11797650

CC(Cl)CCCc1ccc2c(c1)Cc1cc(CCCC(C)Cl)ccc1O2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 2/20 0.33
▸ SIGMAR1 Q99720 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ GRIN2D O15399 1/20 0.32
▸ GRIN2A Q12879 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ GRIN2C Q14957 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ SLC6A2 P23975 2/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ CYP2D6 P10635 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL11677519 0.83 MMP2 (0.38) TMEM97SIGMAR1KCNH2GRIN2DGRIN2A
SCHEMBL11863353 0.79 PTGS2 (0.33) TMEM97SIGMAR1GRIN2DGRIN2AGRIN2B
SCHEMBL11798128 0.78 TRPV1 (0.37) TMEM97SIGMAR1KCNH2
SCHEMBL11801336 0.76 HDAC1 (0.38) MAOAMAOBSLC6A2SLC6A4DRD2
SCHEMBL11550232 0.73 CYP1A2 (0.50) GRIN2DGRIN2AGRIN2BGRIN2CCYP2D6
SCHEMBL11797763 0.73 SIGMAR1 (0.47) SIGMAR1KCNH2SLC6A2SLC6A4DRD2
SCHEMBL30771503 0.71 GRIN2D (0.37) GRIN2DGRIN2AGRIN2BGRIN2CMAOA
SCHEMBL11797647 0.71 HPGD (0.41) —
SCHEMBL11832433 0.71 KCNH2 (0.44) KCNH2SLC6A2SLC6A4DRD2HTR2A
SCHEMBL11818477 0.70 MAOA (0.52) MAOAMAOBSLC6A2SLC6A4DRD2

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
US-3957989-A ADMINISTERING RICHARDSON-MERRELL INC. (US) 1976-05-18 — — US disclosed
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