SCHEMBL11114435

SCHEMBL11114435

O=C(O)c1ccccc1OC1CCN(Cc2cccc(F)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.52
▸ MCHR1 Q99705 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ TMEM97 Q5BJF2 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ CCR3 P51677 4/20 0.47
▸ DRD4 P21917 2/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ DRD2 P14416 1/20 0.46

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
SCHEMBL10368699 0.89 MCHR1 (0.56) MCHR1ALDH1A1KDM4EKMT2A
SCHEMBL10372576 0.87 FFAR1 (0.59) SIGMAR1ALDH1A1DRD4KMT2A
SCHEMBL4229644 0.81 SMN1; SMN2 (0.60) ALDH1A1KDM4ECCR3KMT2APOLB
SCHEMBL10372974 0.81 MCHR1 (0.48) MCHR1ALDH1A1KDM4EDRD4POLB
SCHEMBL10371173 0.81 LMNA (0.52) SIGMAR1MCHR1ALDH1A1KDM4EDRD4
SCHEMBL17455957 0.81 MCHR1 (0.48) MCHR1CCR3
SCHEMBL10371219 0.80 KCNH2 (0.64) MCHR1ALDH1A1KDM4EKMT2ADRD2
SCHEMBL10371522 0.78 CHRM3 (0.47) KDM4E
SCHEMBL10371598 0.78 ACHE (0.53) SIGMAR1ALDH1A1KDM4EDRD4
SCHEMBL10563762 0.77 KDM4E (0.51) SIGMAR1ALDH1A1KDM4EKMT2APOLB

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-0107930-A2 Fused aromatic oxazepinones and sulphur analogues thereof and their preparation and use in counteracting histamine A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1984-05-09 — — EP disclosed
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