SCHEMBL9537085

SCHEMBL9537085

NCCN1CCC(Cc2nc3cccnc3n2Cc2ccc(F)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.58
TP53 P04637 5/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.46
ENPP2 Q13822 6/20 0.46
POLB P06746 1/20 0.43
PRMT3 O60678 1/20 0.43
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
PRMT1 Q99873 1/20 0.43
PRMT8 Q9NR22 1/20 0.43
THRB P10828 2/20 0.43
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR1A P08908 1/20 0.42
HTR2C P28335 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 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
SCHEMBL9535785 0.90 SLC6A9 (0.58) SLC6A9TP53MAPTLMNAENPP2
SCHEMBL9537811 0.89 SLC6A9 (0.60) SLC6A9TP53MAPTLMNAENPP2
SCHEMBL9540167 0.88 SLC6A9 (0.56) SLC6A9TP53MAPTLMNAENPP2
SCHEMBL9535367 0.88 SLC6A9 (0.58) SLC6A9TP53MAPTLMNAENPP2
SCHEMBL9535970 0.87 SLC6A9 (0.55) SLC6A9TP53MAPTLMNAENPP2
SCHEMBL10547724 0.87 SLC6A9 (0.55) SLC6A9TP53MAPTLMNAENPP2
SCHEMBL9535415 0.87 SLC6A9 (0.55) SLC6A9TP53MAPTLMNAENPP2
SCHEMBL9538693 0.86 SLC6A9 (0.52) SLC6A9TP53MAPTLMNAENPP2
SCHEMBL9537582 0.86 TP53 (0.53) SLC6A9TP53MAPTLMNAENPP2
SCHEMBL9535114 0.86 SLC6A9 (0.53) SLC6A9TP53MAPTLMNAENPP2

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