SCHEMBL3396020

SCHEMBL3396020

[CH2]C(=O)CN1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REV1 Q9UBZ9 2/20 0.59
MAPT P10636 4/20 0.58
ALDH1A1 P00352 3/20 0.58
MAPK1 P28482 1/20 0.58
LMNA P02545 3/20 0.57
GAA P10253 2/20 0.57
HTT P42858 1/20 0.57
ALOX15 P16050 1/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HTR1A P08908 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
DEGS1 O15121 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53

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
SCHEMBL8002247 0.86 REV1 (0.62) REV1MAPTALDH1A1MAPK1LMNA
SCHEMBL5114345 0.85 REV1 (0.65) REV1MAPTALDH1A1MAPK1LMNA
SCHEMBL8576314 0.83 REV1 (0.59) REV1MAPTALDH1A1MAPK1LMNA
SCHEMBL4179915 0.83 REV1 (0.59) REV1MAPTALDH1A1MAPK1LMNA
Hydrochloric Acid SCHEMBL1373922 0.83 REV1 (0.63) REV1MAPTALDH1A1MAPK1LMNA
SCHEMBL4179918 0.83 GAA (0.60) REV1MAPTALDH1A1MAPK1LMNA
SCHEMBL31053565 0.81 REV1 (0.68) REV1MAPTALDH1A1LMNAGAA
SCHEMBL3393191 0.81 KMT2A (0.56) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL20271748 0.80 ALDH1A1 (0.56) REV1MAPTALDH1A1MAPK1LMNA
SCHEMBL14207945 0.80 REV1 (0.67) REV1MAPTALDH1A1LMNAHTT

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-2010015703-A2 NOVEL 6-O-SUBSTITUTED 15-MEMBERED 8A- AND 9A-LACTAMS GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2010-02-11 WO disclosed