SCHEMBL5612911

SCHEMBL5612911

O=C1CC(c2ccccc2)c2cc(Cl)ccc21

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
CYP19A1 P11511 1/20 0.49
EEF2K O00418 1/20 0.46
AR P10275 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
KIF11 P52732 1/20 0.41
S100A4 P26447 1/20 0.41
TRPM5 Q9NZQ8 2/20 0.40
TRPM4 Q8TD43 1/20 0.40
PIM1 P11309 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
LDHA P00338 1/20 0.39
ALDH1A1 P00352 2/20 0.39
ALDH2 P05091 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
OPRK1 P41145 1/20 0.39
FDFT1 P37268 1/20 0.39

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
SCHEMBL8888324 0.92 KDM4E (0.45) KDM4ECYP19A1EEF2KARSIGMAR1
SCHEMBL3676809 0.87 KDM4E (0.55) KDM4ECYP19A1EEF2KARSIGMAR1
SCHEMBL3671443 0.87 KDM4E (0.55) KDM4ECYP19A1EEF2KARSIGMAR1
SCHEMBL29608352 0.87 KDM4E (0.55) KDM4ECYP19A1EEF2KARSIGMAR1
SCHEMBL3671445 0.87 KDM4E (0.55) KDM4ECYP19A1EEF2KARSIGMAR1
SCHEMBL8919310 0.86 CYP19A1 (0.46) KDM4ECYP19A1ARKIF11S100A4
SCHEMBL8890205 0.86 THRB (0.46) KDM4ETRPM5ALDH1A1ALDH2HPGD
SCHEMBL8887946 0.83 TRPM4 (0.46) KDM4ECYP19A1TRPM5TRPM4
SCHEMBL8886219 0.81 LMNA (0.41) KDM4ECYP19A1ARALDH1A1GAA
SCHEMBL6001645 0.81 RAB9A (0.49) KDM4EEEF2KALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2720989-A1 DEUTERATED 1-PIPERAZINO-3-PHENYL INDANES FOR TREATMENT OF SCHIZOPHRENIA H. Lundbeck A/S (DK) 2014-04-23 EP disclosed
WO-2012176066-A1 DEUTERATED 1-PIPERAZINO-3-PHENYL INDANES FOR TREATMENT OF SCHIZOPHRENIA H. LUNDBECK A/S (DK) 2012-12-27 WO disclosed
EP-1853574-A1 PROCESS FOR MAKING TRANS-1-((1R,3S)-6-CHLORO-3-PHENYLINDAN-1-YL)-3,3-DIMETHYLPIPERAZINE H. Lundbeck A/S (DK) 2007-11-14 EP disclosed
WO-2006086984-A1 PROCESS FOR MAKING TRANS-1-((1R, 3S)-6-CHLORO-3-PHENYLINDAN-1-YL)-3, 3-DIMETHYLPIPERAZINE H. LUNDBECK A/S (DK) 2006-08-24 WO disclosed
US-5643784-A TREATMENT OF ANXIETY, DEPRESSION, SLEEPING DISORDERS, SCHIZOPHRENIA AND MIGRAINE H, LUNDBECK A/S (DK) 1997-07-01 US disclosed
EP-0560868-B1 INDAN DERIVATIVES LUNDBECK & CO AS H (DK) 1995-04-19 EP disclosed
EP-0560868-A1 INDAN DERIVATIVES. LUNDBECK & CO AS H (DK) 1993-09-22 EP disclosed
WO-1992010192-A1 INDAN DERIVATIVES H. LUNDBECK A/S (DK) 1992-06-25 WO disclosed