SCHEMBL9037624

SCHEMBL9037624

O=C(c1ccccc1)C(CO)N1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 15/20 0.68
SLC6A2 P23975 13/20 0.68
RAB9A P51151 1/20 0.59
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
SLC6A4 P31645 8/20 0.50
HSP90AA1 P07900 1/20 0.50

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
SCHEMBL27563959 0.85 SLC6A3 (0.66) SLC6A3SLC6A2RAB9AALDH1A1MAPT
SCHEMBL11665417 0.85 SLC6A3 (0.75) SLC6A3SLC6A2RAB9AALDH1A1MAPT
SCHEMBL27098435 0.84 SLC6A3 (0.69) SLC6A3SLC6A2RAB9AALDH1A1MAPT
SCHEMBL27098440 0.84 SLC6A3 (0.69) SLC6A3SLC6A2RAB9AALDH1A1MAPT
SCHEMBL4939421 0.83 SLC6A3 (0.77) SLC6A3SLC6A2RAB9ASLC6A4HSP90AA1
SCHEMBL14068919 0.81 SLC6A3 (0.76) SLC6A3SLC6A2RAB9AALDH1A1MAPT
SCHEMBL4936204 0.81 SLC6A3 (1.00) SLC6A3SLC6A2SLC6A4
SCHEMBL6862080 0.80 SLC6A3 (0.63) SLC6A3SLC6A2RAB9AALDH1A1MAPT
SCHEMBL2552830 0.80 SLC6A3 (0.68) SLC6A3SLC6A2RAB9AALDH1A1MAPT
SCHEMBL27098434 0.80 SLC6A3 (0.81) SLC6A3SLC6A2SLC6A4

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-0711162-A4 IMIDAZOLE 5-POSITION SUBSTITUTED ANGIOTENSIN II ANTAGONISTS DU PONT MERCK PHARMA (US) 1996-09-04 EP disclosed
EP-0711162-A1 IMIDAZOLE 5-POSITION SUBSTITUTED ANGIOTENSIN II ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-05-15 EP disclosed