SCHEMBL7961532

SCHEMBL7961532

CC(=O)N1CC[N+]([O-])(Cc2cc(Cl)ccc2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CCR3 P51677 1/20 0.40
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
UCHL3 P15374 1/20 0.39
UCHL1 P09936 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CLK1 P49759 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CNR1 P21554 1/20 0.38
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38

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
SCHEMBL7947733 0.76 HRH3 (0.55) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL7957253 0.76 ALDH1A1 (0.45) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL29497715 0.67 KMT2A (0.58) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL11154695 0.67 ALDH1A1 (0.61) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL18711334 0.66 ALDH1A1 (0.75) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL14263482 0.66 LMNA (0.44) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL3262200 0.66 HRH3 (0.52) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL13034130 0.65 GAA (0.49) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL11068898 0.64 NOTUM (0.59) ALDH1A1HPGD
SCHEMBL6935906 0.64 ALDH1A1 (0.72) ALDH1A1HPGDMAPTMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6271234-B1 DERIVATIVES WHICH BIND TO SEROTONERGIC RECEPTORS; TREATING DISORDERS OF THE LOWER URINARY TRACT RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2001-08-07 US disclosed