SCHEMBL8875394

SCHEMBL8875394

COc1ccccc1N1CCN(CC(O)COc2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.63
ALDH1A1 P00352 4/20 0.63
MAPT P10636 5/20 0.61
KDM4E B2RXH2 3/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
MAPK1 P28482 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
HTR1A P08908 2/20 0.61
ADRA1D P25100 2/20 0.61
ADRA1A P35348 2/20 0.61
ADRA1B P35368 2/20 0.61
HIF1A Q16665 2/20 0.61
NR1I2 O75469 1/20 0.61
NR3C1 P04150 1/20 0.61
ADRB1 P08588 1/20 0.61
ADRA2A P08913 1/20 0.61
DRD2 P14416 1/20 0.61
ADRA2B P18089 1/20 0.61
ADRA2C P18825 1/20 0.61

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
Hydrochloric Acid SCHEMBL8878392 0.99 LMNA (0.62) LMNAALDH1A1MAPTKDM4EMEN1
SCHEMBL8875644 0.86 LMNA (0.65) LMNAALDH1A1MAPTKDM4EMEN1
Hydrochloric Acid SCHEMBL8876509 0.86 LMNA (0.64) LMNAALDH1A1MAPTKDM4EMEN1
SCHEMBL8875658 0.85 HTR1A (0.68) LMNAALDH1A1KDM4EHTR1AADRA1D
SCHEMBL8876505 0.84 HTR1A (0.71) LMNAALDH1A1HTR1AADRA1DADRA1A
Hydrochloric Acid SCHEMBL8875702 0.84 HTR1A (0.66) LMNAALDH1A1KDM4EHTR1AADRA1D
SCHEMBL8876415 0.84 HTR1A (0.70) LMNAALDH1A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL8875577 0.84 HTR1A (0.70) LMNAALDH1A1HTR1AADRA1DADRA1A
SCHEMBL8876618 0.83 HTR1A (0.69) LMNAALDH1A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL8875342 0.83 HTR1A (0.69) LMNAALDH1A1KDM4EMEN1KMT2A

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
CN-1040434-C Heterobicyclic compounds RECORDATI CHEM PHARM (CH) 1998-10-28 CN claimed
US-5605896-A Bicyclic heterocyclic derivatives having α1 adrenergic and 5HT1A activities RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1997-02-25 US claimed
EP-0558245-A1 Heterobicyclic compounds as antagogists of alpha-1 adrenergic and SHT1A receptors RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1993-09-01 EP claimed