SCHEMBL6160158

SCHEMBL6160158

O=C1OC(c2ccccc2)C(c2ccccc2)NC1CC=Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
GSTP1 P09211 1/20 0.40
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PAM P19021 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CACNA1B Q00975 2/20 0.32
GRM5 P41594 1/20 0.32
IDO1 P14902 1/20 0.31
JAK2 O60674 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
DAO P14920 1/20 0.31

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
SCHEMBL6160152 1.00 MAPT (0.43) MAPTALDH1A1POLBHPGDGSTP1
SCHEMBL5252120 1.00 MAPT (0.43) MAPTALDH1A1POLBHPGDGSTP1
SCHEMBL22636046 0.70 MEN1 (0.37) LMNASMN1; SMN2MEN1KMT2AGRM5
SCHEMBL5924622 0.70 SMN1; SMN2 (0.34) LMNASMN1; SMN2MEN1KMT2AGRM5
SCHEMBL24311920 0.68 SMN1; SMN2 (0.43) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL8051884 0.67 ALDH1A1 (0.49) MAPTALDH1A1POLBHPGDGSTP1
SCHEMBL6161927 0.67 GSTP1 (0.38) MAPTALDH1A1POLBHPGDGSTP1
SCHEMBL6161924 0.67 GSTP1 (0.38) MAPTALDH1A1POLBHPGDGSTP1
SCHEMBL7893034 0.65 ABCB1 (0.38) MEN1KMT2AGRM5
SCHEMBL9198436 0.61 ALDH1A1 (0.56) MAPTALDH1A1POLBHPGDGSTP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed
CN-1113895-C Growth hormone secretagogues PFIZER (US) 2003-07-09 CN disclosed
US-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed