SCHEMBL11274786

SCHEMBL11274786

O=C(c1cccnc1)N1CCCc2cccc(OCC3CO3)c21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
HSD17B10 Q99714 1/20 0.53
STAT3 P40763 1/20 0.45
HPGD P15428 1/20 0.40
AVPR2 P30518 1/20 0.40
OXTR P30559 1/20 0.40
AVPR1A P37288 1/20 0.40
ALDH1A1 P00352 5/20 0.39
HSD11B1 P28845 1/20 0.39
CYP11B2 P19099 1/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL11281614 0.88 ALDH1A1 (0.42) POLBHPGDALDH1A1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL10572689 0.82 POLB (0.55) POLBHSD17B10STAT3HPGDAVPR2
SCHEMBL10569932 0.79 POLB (0.49) POLBHSD17B10STAT3HPGDAVPR2
SCHEMBL10573458 0.79 POLB (0.51) POLBHSD17B10STAT3AVPR2AVPR1A
SCHEMBL10652857 0.79 POLB (0.51) POLBHSD17B10STAT3HPGDAVPR2
SCHEMBL10570434 0.78 POLB (0.50) POLBHSD17B10STAT3HPGDALDH1A1
SCHEMBL10570618 0.78 POLB (0.48) POLBHSD17B10STAT3HPGDAVPR2
Oxalic Acid SCHEMBL10574298 0.77 POLB (0.49) POLBHSD17B10STAT3HPGDAVPR2
Nicainoprol SCHEMBL1816282 0.77 HSD17B10 (0.49) POLBHSD17B10STAT3ALDH1A1SMN1; SMN2
SCHEMBL10570429 0.77 POLB (0.49) POLBHSD17B10STAT3HPGDAVPR2

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-4335123-A HYPOTENSIVE AGENTS, ANTIARRHYTHMIA AGENTS CASSELLA AKTIENGESELLSCHAFT (DE) 1982-06-15 US disclosed