SCHEMBL8002247

SCHEMBL8002247

O=C(CN1CCN(c2ccc(F)cc2)CC1)CN1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REV1 Q9UBZ9 2/20 0.62
MAPT P10636 4/20 0.61
ALDH1A1 P00352 3/20 0.61
MAPK1 P28482 1/20 0.61
LMNA P02545 3/20 0.59
GAA P10253 2/20 0.59
HTT P42858 1/20 0.59
ALOX15 P16050 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
HTR1A P08908 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56

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
SCHEMBL5114345 0.88 REV1 (0.65) REV1MAPTALDH1A1MAPK1LMNA
SCHEMBL4179915 0.86 REV1 (0.59) REV1MAPTALDH1A1MAPK1LMNA
Hydrochloric Acid SCHEMBL1373922 0.86 REV1 (0.63) REV1MAPTALDH1A1MAPK1LMNA
SCHEMBL8576314 0.86 REV1 (0.59) REV1MAPTALDH1A1MAPK1LMNA
SCHEMBL4179918 0.86 GAA (0.60) REV1MAPTALDH1A1MAPK1LMNA
SCHEMBL3396020 0.86 REV1 (0.59) REV1MAPTALDH1A1MAPK1LMNA
SCHEMBL31053565 0.83 REV1 (0.68) REV1MAPTALDH1A1LMNAGAA
SCHEMBL14207945 0.82 REV1 (0.67) REV1MAPTALDH1A1LMNAHTT
SCHEMBL20271748 0.80 ALDH1A1 (0.56) REV1MAPTALDH1A1MAPK1LMNA
SCHEMBL17226483 0.79 MAPT (0.57) REV1MAPTALDH1A1MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6090808-A PSYCHOLOGICAL DISORDERS; ANTICONVULSANTS H. LUNDBECK A/S (DK) 2000-07-18 US claimed
EP-0649407-B1 DIMERIC PIPERIDINE, TETRAHYDROPYRIDINE AND PIPERAZINE DERIVATIVES LUNDBECK & CO AS H (DK) 1998-08-05 EP claimed
US-6090808-A PSYCHOLOGICAL DISORDERS; ANTICONVULSANTS H. LUNDBECK A/S (DK) 2000-07-18 US disclosed
US-5658921-A POTENT SIGMA RECEPTOR LIGANDS; WATER SOLUBILITY; SYMMETRY H. LUNDBECK A/S (DK) 1997-08-19 US disclosed