SCHEMBL6153659

SCHEMBL6153659

O=C(c1cc2ccccc2[nH]1)N1CCNC(Cl)C1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.76
HRH3 Q9Y5N1 1/20 0.66
AKR1C3 P42330 8/20 0.58
POLB P06746 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
RBP4 P02753 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL604296 0.86 HRH4 (1.00) HRH4HRH3AKR1C3POLBSMN1; SMN2
SCHEMBL3260438 0.85 HRH4 (0.76) HRH4HRH3AKR1C3POLBSMN1; SMN2
SCHEMBL2679610 0.80 HRH4 (1.00) HRH4HRH3AKR1C3POLBSMN1; SMN2
SCHEMBL29699763 0.80 HRH4 (1.00) HRH4HRH3AKR1C3POLBSMN1; SMN2
SCHEMBL1822962 0.79 HRH4 (0.67) HRH4HRH3AKR1C3POLBSMN1; SMN2
SCHEMBL7710603 0.77 AKR1C3 (0.69) HRH4HRH3AKR1C3POLBSMN1; SMN2
SCHEMBL2350768 0.77 HRH4 (0.78) HRH4HRH3AKR1C3POLBSMN1; SMN2
SCHEMBL29743974 0.76 AKR1C3 (0.67) HRH4HRH3AKR1C3POLBSMN1; SMN2
SCHEMBL20267078 0.76 AKR1C3 (0.67) HRH4HRH3AKR1C3POLBSMN1; SMN2
SCHEMBL26490547 0.76 HRH4 (0.70) HRH4HRH3AKR1C3POLBSMN1; 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-1551406-A1 USE OF INDOLYL DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF ALLERGIC RHINITIS JANSSEN PHARMACEUTICA N.V. (BE) 2005-07-13 EP disclosed
WO-2004022061-A1 USE OF INDOLYL DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT ALLERGIC RHINITIS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-03-18 WO disclosed