SCHEMBL8093014

SCHEMBL8093014

O=C1c2ccccc2C(=O)N1CCCCn1cnc(-c2ccc(Cl)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44

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
SCHEMBL4871015 0.88 TSHR (0.40) TSHRALDH1A1MAPTTDP1
SCHEMBL7027251 0.88 MEN1 (0.45) ALDH1A1MAPTKMT2ATDP1
SCHEMBL4163594 0.86 HPGDS (0.42) ALDH1A1MAPTTDP1
SCHEMBL7030199 0.83 ALDH1A1 (0.50) ALDH1A1MAPTTDP1
SCHEMBL14268976 0.83 HTR1A (0.44) TSHRALDH1A1MAPTKMT2ATDP1
SCHEMBL14268974 0.83 TDP1 (0.41) TSHRALDH1A1MAPTKMT2ATDP1
SCHEMBL4867949 0.82 CYP2E1 (0.43) TSHRALDH1A1MAPTKMT2ATDP1
SCHEMBL4862725 0.82 HTR1A (0.43) TSHRALDH1A1KMT2ATDP1
SCHEMBL4870569 0.82 HPGD (0.39) TSHRALDH1A1KMT2ATDP1
SCHEMBL13851862 0.81 TDP1 (0.42) TSHRALDH1A1MAPTKMT2ATDP1

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-6100404-A Erythromycin compounds HOECHST MARION ROUSSEL (FR) 2000-08-08 US disclosed
US-5635485-A Erythromycin compounds ROUSSEL UCLAF (FR) 1997-06-03 US disclosed