SCHEMBL11787286

SCHEMBL11787286

c1cc(Oc2ccc(CC3=NCCO3)cc2)ccc1CC1=NCCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.39
▸ SRD5A2 P31213 1/20 0.34
▸ ST14 Q9Y5Y6 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ KCNH2 Q12809 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ PTGIR P43119 2/20 0.31
▸ ADRA2A P08913 1/20 0.30
▸ ADRA2B P18089 1/20 0.30
▸ ADRA2C P18825 1/20 0.30
▸ HDAC3 O15379 1/20 0.30
▸ HDAC4 P56524 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC7 Q8WUI4 1/20 0.30
▸ HDAC2 Q92769 1/20 0.30
▸ HDAC10 Q969S8 1/20 0.30
▸ HDAC11 Q96DB2 1/20 0.30
▸ HDAC8 Q9BY41 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
SCHEMBL27633073 0.86 LTA4H (0.46) LTA4HPTGIR
SCHEMBL4335321 0.80 HTR1D (0.46) HRH3
SCHEMBL29226442 0.80 IDO1 (0.34) —
SCHEMBL28759506 0.80 MAOA (0.35) FAAHADRA2A
SCHEMBL2042815 0.79 ADRA2A (0.43) ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL28113238 0.78 TAAR1 (0.44) ADRA2AADRA2BADRA2C
SCHEMBL28768020 0.76 HTR1D (0.50) KCNH2ADRA2AADRA2BADRA2C
SCHEMBL13863533 0.76 ALDH1A1 (0.37) —
SCHEMBL29226412 0.76 TAAR1 (0.38) LTA4HSRD5A2
SCHEMBL29227038 0.73 POLB (0.50) KCNH2

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-RE29027-E Reaction products of polyepoxide and excess di-2-oxazoline THE DOW CHEMICAL COMPANY (US) 1976-11-02 — — US disclosed
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