SCHEMBL7678698

SCHEMBL7678698

O=C(O)N1CCN(c2cc[c]cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
KMT2A Q03164 3/20 0.49
USP2 O75604 2/20 0.49
TSHR P16473 2/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 6/20 0.46
LMNA P02545 5/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
AKR1C3 P42330 1/20 0.46
MAPK1 P28482 2/20 0.45
POLB P06746 2/20 0.44
SLC6A7 Q99884 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CASP6 P55212 1/20 0.43
GFER P55789 1/20 0.43
ALOX15 P16050 1/20 0.43
HTR1A P08908 1/20 0.42
HTR7 P34969 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
SCHEMBL188211 0.83 GFER (0.64) ALDH1A1KMT2AUSP2TSHRMEN1
SCHEMBL631962 0.82 ALDH1A1 (0.69) ALDH1A1KMT2AUSP2TSHRMEN1
SCHEMBL17838736 0.81 AKR1C3 (0.63) ALDH1A1KMT2AUSP2MEN1MAPT
SCHEMBL5546278 0.81 POLB (0.69) ALDH1A1KMT2AUSP2TSHRMEN1
SCHEMBL5795262 0.81
SCHEMBL17838641 0.80 AKR1C3 (0.66) ALDH1A1KMT2AUSP2MEN1MAPT
SCHEMBL188791 0.80 AKR1C3 (0.60) ALDH1A1KMT2AMEN1MAPTLMNA
Hydrochloric Acid SCHEMBL5492248 0.80 ALDH1A1 (0.67) ALDH1A1KMT2AUSP2TSHRMEN1
SCHEMBL188410 0.79 MAPK1 (0.46) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL188783 0.79 NAMPT (0.51) ALDH1A1KMT2ATSHRMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410533-B1 THERAPY FOR BACTERIA INFECTIONS GENZYME CORPORATION 2002-06-25 US claimed
US-6410533-B1 THERAPY FOR BACTERIA INFECTIONS GENZYME CORPORATION 2002-06-25 US disclosed