SCHEMBL9320752

SCHEMBL9320752

NCC(CO)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.39
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
HTR2A P28223 1/20 0.38
LTA4H P09960 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
LMNA P02545 1/20 0.35
PPARG P37231 3/20 0.35
PPARA Q07869 3/20 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
SCHEMBL1847856 0.87 ALDH1A1 (0.44) ALDH1A1RECQLLTA4HMTNR1AMTNR1B
SCHEMBL11515377 0.87 TAAR1 (0.44) TAAR1HTR2ALTA4H
Methyl Alcohol SCHEMBL11163562 0.80 ALDH1A1 (0.40) TAAR1ALDH1A1MTNR1AMTNR1BLMNA
SCHEMBL28716659 0.79 ALDH1A1 (0.43) ALDH1A1RECQLLTA4HMTNR1AMTNR1B
SCHEMBL20449085 0.79 TAAR1 (0.39) TAAR1HTR2ALTA4HMTNR1AMTNR1B
SCHEMBL28036219 0.79 TAAR1 (0.39) TAAR1HTR2ALTA4HMTNR1AMTNR1B
SCHEMBL166063 0.79 CDK5 (0.41) ALDH1A1RECQLMTNR1AMTNR1BLMNA
SCHEMBL5286697 0.79 TAAR1 (0.39) TAAR1HTR2ALTA4HMTNR1AMTNR1B
SCHEMBL28716660 0.79 ALDH1A1 (0.43) ALDH1A1RECQLLTA4HMTNR1AMTNR1B
Methyl Alcohol SCHEMBL11227349 0.79 ALDH1A1 (0.39) TAAR1ALDH1A1MTNR1AMTNR1BLMNA

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
EP-0427480-B1 2-Hydroxy-3-phenoxypropylamino compounds ICI PLC (GB) 1994-01-12 EP disclosed
EP-0427480-A1 2-Hydroxy-3-phenoxypropylamino compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-05-15 EP disclosed