SCHEMBL7435319

SCHEMBL7435319

O=C(c1ccccc1)N1CCC(NCC(O)C2COc3ccccc3O2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
LTA4H P09960 3/20 0.44
DRD4 P21917 3/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
EPHX2 P34913 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ACHE P22303 1/20 0.41
PRMT5 O14744 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7438480 0.92 LMNA (0.44) LTA4HDRD4DRD2DRD3MAPT
SCHEMBL7436670 0.92 NPC1 (0.44) LTA4HMAPTSMN1; SMN2EPHX2PRMT5
SCHEMBL7438375 0.92 DRD3 (0.49) LTA4HDRD4DRD2DRD3SMN1; SMN2
SCHEMBL7435567 0.90 TEAD1 (0.46) EPHX1LTA4HEPHX2PRMT5HPGD
SCHEMBL7440526 0.90 GAA (0.46) SMN1; SMN2EPHX2LMNAALDH1A1ACHE
SCHEMBL7438639 0.88 ALDH1A1 (0.47) SMN1; SMN2CYP2C19ALDH1A1NPC1HPGD
SCHEMBL7432498 0.87 LTA4H (0.52) LTA4HMAPTSMN1; SMN2LMNANPSR1
SCHEMBL7432904 0.87 LTA4H (0.44) LTA4HDRD4MAPTSMN1; SMN2LMNA
SCHEMBL7431389 0.86 HPGD (0.51) MAPTSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL7431782 0.86 SMN1; SMN2 (0.44) LTA4HMAPTSMN1; SMN2LMNANPSR1

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
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US claimed
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed