SCHEMBL7439458

SCHEMBL7439458

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LTA4H P09960 7/20 0.39
TSHR P16473 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 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
SCHEMBL7440244 0.94 ADRB2 (0.38) MAPTMAPK1LMNASMN1; SMN2NPSR1
SCHEMBL7434347 0.93 MAPT (0.37) MAPTMAPK1LMNASMN1; SMN2NPSR1
SCHEMBL7428130 0.93 MAPT (0.37) MAPTMAPK1LMNASMN1; SMN2NPSR1
SCHEMBL7443120 0.93 LMNA (0.41) MAPTMAPK1LMNASMN1; SMN2NPSR1
SCHEMBL7435907 0.93 KDM4E (0.40) MAPTMAPK1LMNASMN1; SMN2NPSR1
SCHEMBL7436565 0.91 ALDH1A1 (0.39) MAPTMAPK1LMNASMN1; SMN2NPSR1
SCHEMBL7430176 0.90 TEAD1 (0.44) MAPTMAPK1LMNASMN1; SMN2NPSR1
SCHEMBL7431674 0.90 LMNA (0.42) MAPTMAPK1LMNASMN1; SMN2NPSR1
SCHEMBL7432813 0.90 CA1 (0.42) MAPTMAPK1LMNASMN1; SMN2NPSR1
SCHEMBL7434312 0.90 MAPT (0.38) MAPTMAPK1LMNASMN1; SMN2NPSR1

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