SCHEMBL9761779

SCHEMBL9761779

O=C1c2ccccc2CN1C1CCN(Cc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
ALDH1A1 P00352 3/20 0.54
ALDH3A1 P30838 1/20 0.54
KMT2A Q03164 3/20 0.54
PKM P14618 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MTR Q99707 1/20 0.52
SIGMAR1 Q99720 2/20 0.51
TRPV6 Q9H1D0 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
HPGD P15428 1/20 0.49
MCHR1 Q99705 2/20 0.48
MEN1 O00255 2/20 0.48
HTT P42858 1/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
SCN1A P35498 1/20 0.47
SCN5A Q14524 1/20 0.47
SCN9A Q15858 1/20 0.47

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
Hydrochloric Acid SCHEMBL9762569 0.99 TSHR (0.57) TSHRALDH1A1ALDH3A1KMT2APKM
SCHEMBL6191353 0.81 MTR (0.66) MTRSIGMAR1DRD2DRD4SCN1A
SCHEMBL9762133 0.77 SCN1A (0.67) KMT2AMTRMEN1SCN1ASCN5A
SCHEMBL3086964 0.76 SCN1A (0.50) MTRSCN1ASCN5ASCN9A
SCHEMBL1605177 0.74 TSHR (0.53) TSHRALDH1A1KMT2ATRPV6MCHR1
SCHEMBL3089987 0.74 SCN1A (0.55) MTRSCN1ASCN5ASCN9A
SCHEMBL14939477 0.73 TSHR (0.53) TSHRALDH1A1ALDH3A1KMT2APKM
SCHEMBL3095201 0.72 SCN1A (0.52) MTRSCN1ASCN5ASCN9A
SCHEMBL3101936 0.72 SSTR5 (0.50) MTRSCN1ASCN5ASCN9A
SCHEMBL7237295 0.72 MTR (0.51) MTRSCN1ASCN5ASCN9A

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-5053413-A Antiarrhythmia agent G. D. SEARLE & CO. (US) 1991-10-01 US claimed