SCHEMBL28742970

SCHEMBL28742970

O=C(NO)c1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 8/20 0.65
▸ HDAC4 P56524 2/20 0.65
▸ KCNH2 Q12809 2/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ HDAC6 Q9UBN7 4/20 0.60
▸ HDAC8 Q9BY41 1/20 0.60
▸ HTR1A P08908 1/20 0.57
▸ HTR7 P34969 1/20 0.57
▸ USP2 O75604 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ THRB P10828 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53

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
SCHEMBL29799167 1.00 HDAC1 (0.65) HDAC1HDAC4KCNH2SMN1; SMN2HDAC6
SCHEMBL28742702 0.87 HDAC1 (0.81) HDAC1HDAC4KCNH2SMN1; SMN2HDAC6
SCHEMBL6030721 0.82 KDM4E (0.72) KCNH2SMN1; SMN2HTR1AHTR7USP2
SCHEMBL12341280 0.82 HDAC1 (0.81) HDAC1HDAC4KCNH2SMN1; SMN2HDAC6
SCHEMBL18177888 0.81 DRD2 (0.65) KCNH2SMN1; SMN2HTR1AHTR7USP2
Bromide SCHEMBL6575201 0.81 KDM4E (0.70) KCNH2SMN1; SMN2HTR1AHTR7USP2
SCHEMBL18690249 0.80 HDAC1 (0.76) HDAC1HDAC4KCNH2HDAC6HDAC8
SCHEMBL9374413 0.80 SIGMAR1 (0.76) KCNH2HTR1AHTR7USP2LMNA
SCHEMBL28742676 0.80 HDAC1 (0.64) HDAC1HDAC4KCNH2HDAC6HDAC8
SCHEMBL18690263 0.79 HDAC1 (0.74) HDAC1HDAC4KCNH2HDAC6HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539130-B Phenylpiperazine or phenylpiperidine compounds and application thereof 温州医科大学 2023-08-11 — — CN claimed
CN-114539130-A Phenyl piperazine or phenyl piperidine compound and application thereof 温州医科大学 2022-05-27 — — CN claimed
CN-114539130-B Phenylpiperazine or phenylpiperidine compounds and application thereof 温州医科大学 2023-08-11 — — CN disclosed
CN-114539130-A Phenyl piperazine or phenyl piperidine compound and application thereof 温州医科大学 2022-05-27 — — CN disclosed
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