SCHEMBL9538633

SCHEMBL9538633

c1ccc(CN2CCC(Cc3nc4ccccc4n3Cc3ccoc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 2/20 0.48
CCR3 P51677 1/20 0.48
SSTR5 P35346 1/20 0.47
HIF1A Q16665 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
NR1I2 O75469 1/20 0.47
ABCB11 O95342 1/20 0.47
ESR1 P03372 1/20 0.47
PGR P06401 1/20 0.47
CYP3A4 P08684 1/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
ADRA2B P18089 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
SCHEMBL5626341 0.90 MEN1 (0.66) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL9539888 0.84 KCNH2 (0.50) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL9536543 0.84 SSTR5 (0.66) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL9535902 0.84 MEN1 (0.63) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL9539854 0.83 ALDH1A1 (0.52) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL9537851 0.82 MEN1 (0.56) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL9537835 0.81 SSTR5 (0.59) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL9539084 0.81 MEN1 (0.52) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL9537584 0.81 MEN1 (0.56) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL9538432 0.81 PRMT3 (0.59) MEN1KMT2ACYP1A2CYP2D6CYP2C9

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
EP-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP disclosed
US-4839374-A TREATING ALLERGIES JANSSEN PHARMACEUTICA, N.V. (BE) 1989-06-13 US disclosed
US-4695575-A ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1987-09-22 US disclosed
EP-0151826-A1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1985-08-21 EP disclosed