SCHEMBL9535926

SCHEMBL9535926

O=C(NCCN1CCC(Cc2nc3ccccc3n2Cc2ccc(F)cc2)CC1)c1cc(O)c2ccccc2n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
KCNH2 Q12809 3/20 0.47
NR4A2 P43354 1/20 0.47
SSTR5 P35346 2/20 0.47
POLB P06746 1/20 0.47
HRH1 P35367 2/20 0.44
HRH4 Q9H3N8 1/20 0.44
CCR3 P51677 2/20 0.44
MCHR1 Q99705 1/20 0.43
TACR2 P21452 1/20 0.42
TACR1 P25103 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
SCHEMBL9536186 0.87 MAPT (0.56) SLC6A2SLC6A4SSTR5POLBCCR3
SCHEMBL9539081 0.85 SLC6A2 (0.51) SLC6A2SLC6A4KCNH2NR4A2SSTR5
Oxalic Acid SCHEMBL10554393 0.85 SLC6A2 (0.51) SLC6A2SLC6A4KCNH2NR4A2SSTR5
Oxalic Acid SCHEMBL10554399 0.85 SLC6A2 (0.51) SLC6A2SLC6A4KCNH2NR4A2SSTR5
SCHEMBL9536266 0.85 OPRK1 (0.51) SLC6A2SLC6A4KCNH2NR4A2SSTR5
SCHEMBL9536847 0.84 KCNH2 (0.49) KCNH2NR4A2SSTR5POLBHRH1
SCHEMBL10547215 0.83 POLB (0.49) SLC6A2SLC6A4KCNH2NR4A2SSTR5
SCHEMBL9538348 0.82 POLB (0.49) SLC6A2SLC6A4KCNH2NR4A2SSTR5
SCHEMBL9536636 0.82 CCR3 (0.65) SLC6A2SLC6A4KCNH2POLBCCR3
Oxalic Acid SCHEMBL9540591 0.82 ALDH1A1 (0.53) SLC6A2SLC6A4SSTR5POLBCCR3

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-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