SCHEMBL9535970

SCHEMBL9535970

Fc1ccc(Cn2c(CC3CCN(CCc4ccccn4)CC3)nc3cccnc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.55
ENPP2 Q13822 7/20 0.47
TP53 P04637 3/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 3/20 0.44
SSTR5 P35346 1/20 0.44
THRB P10828 1/20 0.42
NR4A2 P43354 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL9537288 0.90 SSTR5 (0.53) TP53MAPTLMNASSTR5NR4A2
Hydrochloric Acid SCHEMBL9537481 0.88 SLC6A9 (0.53) SLC6A9ENPP2TP53MAPTLMNA
SCHEMBL10547724 0.87 SLC6A9 (0.55) SLC6A9ENPP2TP53MAPTLMNA
SCHEMBL9537085 0.87 SLC6A9 (0.58) SLC6A9ENPP2TP53MAPTLMNA
SCHEMBL9535785 0.87 SLC6A9 (0.58) SLC6A9ENPP2TP53MAPTLMNA
SCHEMBL9535367 0.87 SLC6A9 (0.58) SLC6A9ENPP2TP53MAPTLMNA
SCHEMBL9537811 0.86 SLC6A9 (0.60) SLC6A9ENPP2TP53MAPTLMNA
Oxalic Acid SCHEMBL10548563 0.85 SSTR5 (0.51) TP53MAPTLMNASSTR5NR4A2
Oxalic Acid SCHEMBL10548557 0.85 SSTR5 (0.51) TP53MAPTLMNASSTR5NR4A2
SCHEMBL9540167 0.85 SLC6A9 (0.56) SLC6A9ENPP2TP53MAPTLMNA

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 3 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-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