SCHEMBL20072329

SCHEMBL20072329

C=C(CCC(N)Cc1ccc(-c2ccccc2)cc1)OCC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SRR Q9GZT4 2/20 0.40
▸ PSAT1 Q9Y617 2/20 0.40
▸ MME P08473 2/20 0.40
▸ EPHX1 P07099 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CTSH P09668 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ CTSC P53634 1/20 0.38
▸ HDAC1 Q13547 4/20 0.37
▸ HDAC6 Q9UBN7 4/20 0.37
▸ SCN4A P35499 2/20 0.37
▸ PPARG P37231 2/20 0.37
▸ PPARA Q07869 2/20 0.37
▸ FFAR1 O14842 1/20 0.36
▸ GPR88 Q9GZN0 1/20 0.36

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
SCHEMBL597533 0.84 SRR (0.50) SRRPSAT1MMECYP1A2CYP3A4
SCHEMBL1908571 0.84 SRR (0.50) SRRPSAT1MMECYP1A2CYP3A4
Hydrochloric Acid SCHEMBL597532 0.83 SRR (0.51) SRRPSAT1MMECYP1A2CYP3A4
Hydrochloric Acid SCHEMBL597534 0.83 SRR (0.51) SRRPSAT1MMECYP1A2CYP3A4
SCHEMBL9468396 0.76 EPHX1 (0.52) SRRPSAT1MMEEPHX1CYP1A2
SCHEMBL18387926 0.75 FFAR1 (0.61) SRRPSAT1MMECYP1A2FFAR1
SCHEMBL18554219 0.75 FFAR1 (0.61) SRRPSAT1MMECYP1A2FFAR1
SCHEMBL1912576 0.75 SRR (0.52) SRRPSAT1CYP1A2CYP3A4CTSH
SCHEMBL1912581 0.75 SRR (0.52) SRRPSAT1CYP1A2CYP3A4CTSH
Hydrochloric Acid SCHEMBL9468395 0.75 EPHX1 (0.50) SRRPSAT1MMEEPHX1CYP1A2

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
WO-2018069833-A1 STABLE AMORPHOUS FORM OF SACUBITRIL VALSARTAN TRISODIUM COMPLEX AND PROCESSES FOR PREPARATION THEREOF LAURUS LABS LIMITED (IN) 2018-04-19 — — WO disclosed
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