SCHEMBL10931334

SCHEMBL10931334

NC(=O)COCCOCCN1CCNCC1C(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TACR1 P25103 1/20 0.38
▸ OPRD1 P41143 3/20 0.37
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HRH1 P35367 3/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ HRH2 P25021 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ TEK Q02763 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ USP2 O75604 1/20 0.35

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
SCHEMBL6475552 0.92 HRH1 (0.45) TDP1TACR1OPRD1HRH1SLC6A4
SCHEMBL6482143 0.83 HRH1 (0.54) TDP1TACR1OPRD1HRH1SLC6A4
SCHEMBL9844393 0.83 OPRD1 (0.42) TDP1OPRD1SLC6A4SIGMAR1
Hydrochloric Acid SCHEMBL5957369 0.82 HRH1 (0.55) TDP1TACR1OPRD1HRH1SLC6A4
Hydrochloric Acid SCHEMBL27546451 0.78 HRH1 (0.38) TDP1MAPTHRH1SLC6A4SLC6A2
SCHEMBL27980649 0.71 OPRD1 (0.44) OPRD1SLC6A4SIGMAR1
Hydrochloric Acid SCHEMBL8693217 0.71 TDP1 (0.43) TDP1ALDH1A1LMNAMAPTSLC6A4
SCHEMBL16757280 0.71 TDP1 (0.46) TDP1ALDH1A1KDM4ETACR1OPRD1
SCHEMBL5683230 0.71 TDP1 (0.41) TDP1TACR1OPRD1HRH1SLC6A4
SCHEMBL7337323 0.70 TDP1 (0.42) TDP1OPRD1GAA

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-4525358-A ANTIHISTAMINES, ANTIALLERGENS, ANTISPASMODICS, BRONCHODILATORS UCB PHARMACEUTICALS, INC. (US) 1985-06-25 — — US disclosed
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