SCHEMBL28845589

SCHEMBL28845589

O=C(O)C1C(O)N(Cc2ccccc2)CCN1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.48
GRM6 O15303 1/20 0.44
MAPT P10636 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR5 Q9H228 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
FUCA1 P04066 2/20 0.41
TP53 P04637 1/20 0.41
MDM2 Q00987 1/20 0.41
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL25195472 0.90 GRM6 (0.49) GBA1GRM6MAPTS1PR1S1PR5
SCHEMBL1535090 0.83 GBA1 (0.59) GBA1GRM6MAPTFUCA1CYP2C9
SCHEMBL2430189 0.77 GBA1 (0.64) GBA1MAPTSIGMAR1FUCA1
SCHEMBL20135465 0.77 MAPT (0.58) GRM6MAPTS1PR1S1PR5FUCA1
SCHEMBL26186803 0.77 MAPT (0.58) GRM6MAPTS1PR1S1PR5FUCA1
SCHEMBL26186740 0.77 MAPT (0.58) GRM6MAPTS1PR1S1PR5FUCA1
SCHEMBL17986812 0.77 MAPT (0.58) GRM6MAPTS1PR1S1PR5FUCA1
SCHEMBL20612845 0.75 POLB (0.48) MAPTKMT2AMEN1SIGMAR1POLB
SCHEMBL17068139 0.75 POLB (0.48) MAPTKMT2AMEN1SIGMAR1POLB
Hydrochloric Acid SCHEMBL20135692 0.75 MAPT (0.56) GRM6MAPTS1PR1S1PR5POLB

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
CN-106986875-A The conditioning agent and its application method of 5 HT acceptors ABBVIE 公司 2017-07-28 CN disclosed
CN-102482292-B Modulators of 5-HT receptors and methods of use thereof ABBVIE 公司 2017-07-18 CN disclosed