SCHEMBL12330685

SCHEMBL12330685

CCN(CC)CN(C)C(=O)c1nc2cc(I)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 4/20 0.46
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ GABRA4 P48169 1/20 0.33
▸ GABRA6 Q16445 1/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PIN1 Q13526 1/20 0.32
▸ HDAC4 P56524 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ TSHR P16473 1/20 0.30
▸ TERT O14746 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
SCHEMBL2442625 0.79 HRH4 (0.50) HRH4HRH3LMNASMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL2444782 0.78 HRH4 (0.49) HRH4HRH3LMNARAB9ASMN1; SMN2
SCHEMBL12330440 0.78 HRH4 (0.52) HRH4HRH3RAB9ASMN1; SMN2PIN1
SCHEMBL2445509 0.73 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31024214 0.72 PIN1 (0.53) LMNAPIN1
SCHEMBL31024207 0.71 PIN1 (0.37) HRH4HRH3SMN1; SMN2PIN1PRKCZ
SCHEMBL31024218 0.71 ALDH1A1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12086528 0.69 KDM4E (0.44) GABRA1GABRA3TSHR
SCHEMBL2442628 0.69 HRH4 (0.58) HRH4HRH3LMNASMN1; SMN2HDAC6
Hydrochloric Acid SCHEMBL2444785 0.68 HRH4 (0.57) HRH4HRH3LMNARAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2363399-A1 Labelled analogues of halobenzamides as radiopharmaceuticals INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-09-07 — — EP disclosed
WO-2008012782-A2 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2008-01-31 — — WO disclosed
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