SCHEMBL10512932

SCHEMBL10512932

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ HPGD P15428 1/20 0.48
▸ MGLL Q99685 2/20 0.43
▸ USP2 O75604 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ FAAH O00519 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL10513531 0.88 MGLL (0.43) ALDH1A1MGLLSMN1; SMN2NPC1RAB9A
SCHEMBL10514900 0.87 MGLL (0.41) ALDH1A1MGLLSMN1; SMN2NPC1RAB9A
SCHEMBL11154111 0.86 KMT2A (0.56) ALDH1A1HPGDMGLLSMN1; SMN2RAB9A
SCHEMBL11153193 0.85 L3MBTL1 (0.47) ALDH1A1HPGDMGLLSMN1; SMN2NPC1
SCHEMBL10515575 0.85 ADRA1D (0.39) ALDH1A1MGLLSMN1; SMN2NPC1RAB9A
SCHEMBL11225821 0.83 MGLL (0.41) ALDH1A1MGLLSMN1; SMN2NPC1RAB9A
SCHEMBL11159483 0.82 OPRM1 (0.44) ALDH1A1HPGDSMN1; SMN2POLBKMT2A
SCHEMBL11158087 0.82 KCNH2 (0.47) ALDH1A1MGLLSMN1; SMN2NPC1RAB9A
SCHEMBL11150886 0.82 CYP2D6 (0.47) ALDH1A1MGLLSMN1; SMN2
SCHEMBL10512960 0.80 TACR1 (0.52) ALDH1A1HPGDUSP2RAB9AMAPK1

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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