SCHEMBL9536836

SCHEMBL9536836

Nc1ccccc1NCc1ccco1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 1/20 0.47
MAPK1 P28482 5/20 0.45
GAA P10253 4/20 0.45
KDM4E B2RXH2 3/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 2/20 0.45
PKM P14618 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 3/20 0.45
HTT P42858 3/20 0.45
MEN1 O00255 1/20 0.45
BLM P54132 1/20 0.45
KDM6B O15054 1/20 0.44
KDM4A O75164 1/20 0.44
KDM5C P41229 1/20 0.44

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
SCHEMBL10408359 0.80 KMT2A (0.56) KCNH3MAPK1GAAKDM4ELMNA
SCHEMBL1742362 0.77 AURKA (0.56) MAPK1GAAKDM4ELMNAALDH1A1
SCHEMBL11035894 0.76 LMNA (0.54) MAPK1KDM4ELMNAALDH1A1HPGD
SCHEMBL874328 0.75 ALDH1A1 (0.46) KCNH3MAPK1GAAKDM4ELMNA
SCHEMBL7559863 0.75 KDM4E (0.58) KCNH3MAPK1GAAKDM4ELMNA
SCHEMBL3769314 0.74 KMT2A (0.47) KCNH3MAPK1GAAKDM4ELMNA
SCHEMBL27312113 0.74 KMT2A (0.50) GAAALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL11123504 0.73 KMT2A (0.46) KCNH3MAPK1GAAKDM4ELMNA
SCHEMBL11020702 0.73 SMN1; SMN2 (0.54) MAPK1GAAKDM4ELMNAALDH1A1
SCHEMBL453628 0.73 KDM4E (0.68) MAPK1GAAKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP disclosed
US-RE33833-E Intermediates for antihistamines, antiserotonine agents JANSSEN PHARMACEUTICA N.V. (BE) 1992-02-25 US disclosed
US-4839374-A TREATING ALLERGIES JANSSEN PHARMACEUTICA, N.V. (BE) 1989-06-13 US disclosed
US-4820822-A ANTIHISTAMINE, ANTISEROTONINE AGENTS JANSSEN PHARMACEUTICA (BE) 1989-04-11 US disclosed
EP-0145037-B1 N-(BICYCLIC HETEROCYCLYL)-4-PIPERIDINAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1989-01-18 EP disclosed
US-4760074-A Novel-N-(bicyclic heterocyclyl)-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1988-07-26 US disclosed
US-4695575-A ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1987-09-22 US disclosed
EP-0099139-B1 NOVEL N-(BICYCLIC HETEROCYCLYL)-4-PIPERIDINAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1987-02-11 EP disclosed
US-4634704-A HISTAMINE AND SEROTONINE ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 1987-01-06 US disclosed
US-4556660-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1985-12-03 US disclosed
EP-0151826-A1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1985-08-21 EP disclosed
EP-0145037-A2 N-(bicyclic heterocyclyl)-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1985-06-19 EP disclosed
EP-0099139-A2 Novel N-(bicyclic heterocyclyl)-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1984-01-25 EP disclosed