SCHEMBL8299253

SCHEMBL8299253

O=C(CN1CCCCC1)Nc1ccc(Cl)cc1C(=O)NCc1ccc2c(c1)OCO2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
ATM Q13315 1/20 0.53
NPC1 O15118 1/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
TSHR P16473 3/20 0.52
HPGD P15428 2/20 0.52
LMNA P02545 3/20 0.51
MAPT P10636 4/20 0.51
TP53 P04637 2/20 0.51
KDM4E B2RXH2 4/20 0.51
POLB P06746 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MCHR1 Q99705 2/20 0.50
CACNA1G O43497 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALOX12 P18054 1/20 0.49

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
SCHEMBL8301481 0.91 SMN1; SMN2 (0.55) ALDH1A1MEN1KMT2ATSHRHPGD
SCHEMBL8299700 0.90 MCHR1 (0.54) ALDH1A1MEN1KMT2ATSHRHPGD
SCHEMBL8299746 0.89 CACNA1G (0.64) ALDH1A1MEN1KMT2ATSHRHPGD
SCHEMBL8293878 0.85 SMN1; SMN2 (0.50) ALDH1A1MEN1KMT2ATSHRHPGD
SCHEMBL8300413 0.85 MEN1 (0.58) ALDH1A1NPC1MEN1KMT2ATSHR
SCHEMBL8299754 0.84 F10 (0.53) ALDH1A1TSHRHPGDLMNAMAPT
SCHEMBL8299752 0.83 HPGD (0.55) ALDH1A1MEN1KMT2ATSHRHPGD
SCHEMBL27416400 0.83 MEN1 (0.55) ALDH1A1MEN1KMT2ATSHRHPGD
SCHEMBL8293093 0.82 HPGD (0.59) ALDH1A1MEN1KMT2ATSHRHPGD
SCHEMBL8292110 0.82 MEN1 (0.54) ALDH1A1MEN1KMT2ATSHRHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686625-B1 ANTHRANILIC ACID DERIVATIVE EISAI CO LTD (JP) 1999-05-26 EP disclosed
US-5716993-A PHOSPHODIESTERASE ENZYME INHIBITOR FOR TREATING CARDIOVASCULAR DISORDER, ANGINA PECTORIS, HYPERTENSION, ASTHMA EISAI CO., LTD. (JP) 1998-02-10 US disclosed
EP-0686625-A1 ANTHRANILIC ACID DERIVATIVE Eisai Co., Ltd. (JP) 1995-12-13 EP disclosed