SCHEMBL10437288

SCHEMBL10437288

O=C(OCc1ccccc1)O[C@H]1C[C@@H]2CCC[C@@H]2N1C(=O)CCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
NPC1 O15118 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DPP4 P27487 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
PREP P48147 1/20 0.38

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
SCHEMBL10437321 0.94 PREP (0.45) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL10437333 0.93 PREP (0.42) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL10788524 0.91 DPP4 (0.39) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9356920 0.86 HTR2C (0.46) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL10437302 0.85 CYP1A2 (0.42) PREP
SCHEMBL10437314 0.83 PREP (0.42) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL11033625 0.83 PREP (0.36) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL10437301 0.83 ACHE (0.39) KMT2ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL10511673 0.83 HRH1 (0.42) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9775269 0.82 ACE (0.46) ACEMEN1KMT2ACYP3A4ALOX15

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
EP-0370378-A2 Pyrrolidine-2-carboxylic-acid derivatives with a psychotropic activity HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-30 EP disclosed