SCHEMBL10513531

SCHEMBL10513531

NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)(c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ FAAH O00519 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL10512932 0.88 ALDH1A1 (0.48) MGLLNPC1RAB9AFAAHMEN1
SCHEMBL10514900 0.85 MGLL (0.41) MGLLNPC1RAB9AFAAHALDH1A1
SCHEMBL11154111 0.84 KMT2A (0.56) MGLLRAB9AMEN1KMT2AKDM4E
SCHEMBL11225821 0.83 MGLL (0.41) MGLLNPC1RAB9AFAAHMEN1
SCHEMBL11153193 0.83 L3MBTL1 (0.47) MGLLNPC1RAB9APOLBKMT2A
SCHEMBL10515575 0.82 ADRA1D (0.39) MGLLNPC1RAB9AFAAHMEN1
SCHEMBL11150886 0.80 CYP2D6 (0.47) MGLLKDM4EALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL11159483 0.80 OPRM1 (0.44) POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL11158087 0.80 KCNH2 (0.47) MGLLNPC1RAB9AMEN1POLB
SCHEMBL10514541 0.80 THRB (0.41) KDM4EALDH1A1GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4853384-A ANTICONVULSANTS; HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1989-08-01 — — US claimed
EP-0333025-A1 1-Carbonylderivatives of 4-aryl-4-aryloxypiperidines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-09-20 — — EP disclosed
US-4853384-A ANTICONVULSANTS; HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1989-08-01 — — US disclosed
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