SCHEMBL7849031

SCHEMBL7849031

CC(C)(C)OC(=O)N1CCC(c2c[nH]c3ccc(N4CNc5ncccc54)cc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.42
PDE10A Q9Y233 1/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 2/20 0.41
BRD4 O60885 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
CREBBP Q92793 1/20 0.41
LMNA P02545 1/20 0.41
GPR119 Q8TDV5 3/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
THRB P10828 2/20 0.40
HTR6 P50406 1/20 0.40
HSD11B1 P28845 2/20 0.40
HTR1A P08908 2/20 0.40

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
SCHEMBL7375397 0.81 KDM4E (0.52) MAPTKDM4EHTR6HTR1A
SCHEMBL7370973 0.80 GABRP (0.49) HTR6HTR1A
SCHEMBL6212815 0.78 HTR1D (0.62) MAPTKDM4EBRD4ALDH1A1POLB
SCHEMBL2347633 0.78 PDE10A (0.54) PDE10AMAPTKDM4EBRD4ALDH1A1
SCHEMBL8618496 0.77 CYP1A2 (0.63) MAPTKDM4EBRD4ALDH1A1POLB
SCHEMBL8120106 0.76 HTR1D (0.49) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL27337232 0.76 KDM4E (0.43) MAPTKDM4EBRD4ALDH1A1POLB
SCHEMBL12127418 0.76 KDM4E (0.49) MAPTKDM4EBRD4ALDH1A1POLB
SCHEMBL30567991 0.76 OPRM1 (0.53) MAPTKDM4EBRD4ALDH1A1POLB
SCHEMBL4674153 0.76 HSD11B1 (0.60) KDM4EBRD4ALDH1A1POLBCREBBP

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
EP-0666858-B1 5-ARYLINDOLE DERIVATIVES AND THEIR USE AS SEROTONIN (5-HT 1) AGONISTS PFIZER (US) 2001-06-13 EP disclosed
EP-1094064-A1 5-arylindolederivatives and their use as serotonin(5-ht1)agonists PFIZER INC. (US) 2001-04-25 EP disclosed