SCHEMBL9535735

SCHEMBL9535735

Fc1ccc(Cn2c(CC3CCNCC3)nc3cccnc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 2/20 0.50
SLC6A9 P48067 1/20 0.49
ENPP2 Q13822 6/20 0.49
KCNH2 Q12809 2/20 0.49
NR4A2 P43354 1/20 0.47
POLB P06746 1/20 0.46
THRB P10828 2/20 0.46

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
Hydrochloric Acid SCHEMBL9537452 0.99 TP53 (0.50) TP53MAPTLMNASLC6A9ENPP2
SCHEMBL13186991 0.90 KCNH2 (0.61) TP53MAPTLMNAENPP2KCNH2
SCHEMBL9539209 0.90 LMNA (0.55) TP53LMNAENPP2KCNH2
SCHEMBL9535843 0.89 KCNH2 (0.54) TP53MAPTLMNAENPP2KCNH2
SCHEMBL9539234 0.86 LMNA (0.58) TP53MAPTLMNAENPP2THRB
SCHEMBL9540167 0.84 SLC6A9 (0.56) TP53MAPTLMNASLC6A9ENPP2
SCHEMBL9535367 0.84 SLC6A9 (0.58) TP53MAPTLMNASLC6A9ENPP2
SCHEMBL9564851 0.84 CYP1A2 (0.54) LMNAKCNH2NR4A2
SCHEMBL9536078 0.83 KCNH2 (0.50) KCNH2NR4A2
SCHEMBL9382803 0.83 KCNH2 (0.64) KCNH2NR4A2

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