SCHEMBL28816744

SCHEMBL28816744

O=C(Cl)OC(c1ccccc1)N1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
OPRD1 P41143 10/20 0.51
SLC6A4 P31645 8/20 0.44
SLC6A2 P23975 6/20 0.44
OPRM1 P35372 1/20 0.43
SLC6A3 Q01959 4/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL28049253 0.86 LMNA (0.47) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL28086157 0.86 LMNA (0.51) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL27999947 0.84 GAA (0.53) MEN1KMT2ACYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL28314858 0.84 LMNA (0.54) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL27995211 0.83 ATM (0.41) MEN1KMT2AOPRM1CYP2D6
SCHEMBL27996405 0.82 ALDH1A1 (0.54) MEN1KMT2A
SCHEMBL27968133 0.82 ATM (0.38) MEN1KMT2AOPRD1CYP2D6
SCHEMBL28299375 0.81 KCNA3 (0.43) OPRD1OPRM1CYP1A2CYP2D6
SCHEMBL28049321 0.79 ALDH1A1 (0.40) MEN1KMT2ACYP1A2CYP2D6
SCHEMBL28026010 0.79 ALDH1A1 (0.38) CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109923114-A Pyrazolopyridine derivatives as HPK1 modulators and their use for the treatment of cancer 因赛特公司 2019-06-21 CN disclosed
CN-104011045-B Dihydrobenzoxazine and dihydropyridinooxazine derivatives 诺华股份有限公司 2016-08-24 CN disclosed
CN-102918042-B 8-methyl-1-phenyl-imidazo [1,5-a ] pyrazine compounds MERCK SHARP & DOHME B.V. (NL) 2016-03-09 CN disclosed
CN-104981457-A Heterocyclic compound TAKEDA PHARMACEUTICAL 2015-10-14 CN disclosed
CN-104662015-A Complement pathway modulators and uses thereof NOVARTIS AG 2015-05-27 CN disclosed
CN-104603146-A Cyclic peptides and use as medicines NOVARTIS AG 2015-05-06 CN disclosed
CN-104379576-A Substituted pyrrolidines as factor XIA inhibitors for the treatment of thromboembolic disorders ONO PHARMACEUTICAL CO 2015-02-25 CN disclosed