SCHEMBL10548481

SCHEMBL10548481

Cc1ccc(Cn2c(CC3CCN(CCNC(=S)Nc4cnccc4N)CC3)nc3ccccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
CYP2D6 P10635 1/20 0.38
HRH1 P35367 1/20 0.38
KCNH2 Q12809 1/20 0.38
HTR3A P46098 1/20 0.36
ALDH1A2 O94788 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALDH2 P05091 1/20 0.36
ALDH3A1 P30838 1/20 0.36
ALDH1A3 P47895 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL10547517 0.94 SLC6A2 (0.40) MEN1HTTKMT2ALMNACYP2D6
SCHEMBL10548825 0.93 KCNH2 (0.42) MAPTMEN1HTTKMT2ALMNA
SCHEMBL10550485 0.90 LMNA (0.41) MAPTLMNATP53
SCHEMBL10798752 0.86 SLC6A9 (0.41) MAPTHTTLMNASMN1; SMN2ALDH1A1
SCHEMBL10549718 0.86 ALDH1A1 (0.40) MAPTMEN1HTTKMT2ALMNA
SCHEMBL10548471 0.84 MEN1 (0.39) MAPTMEN1HTTKMT2ALMNA
SCHEMBL9536524 0.84 MEN1 (0.47) MAPTMEN1HTTKMT2ALMNA
SCHEMBL10550927 0.83 SLC6A9 (0.46) MAPTLMNATP53
SCHEMBL10551752 0.80 SLC6A9 (0.39) MAPTHTTLMNASMN1; SMN2TP53
SCHEMBL1151619 0.80 SSTR5 (0.59) MAPTMEN1HTTKMT2ALMNA

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
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