SCHEMBL9703358

SCHEMBL9703358

O=C(O)CC1CCC(c2c[nH]c3ccccc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
BRD4 O60885 1/20 0.56
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
CREBBP Q92793 1/20 0.56
HTR2C P28335 2/20 0.56
ADRB2 P07550 1/20 0.56
ATM Q13315 1/20 0.50
HSD11B1 P28845 1/20 0.48
ADRA1D P25100 2/20 0.48
CHRM4 P08173 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL734917 0.82 HTR2C (0.79) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL9703341 0.81 HTR2C (0.60) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL27707244 0.78 KDM4E (0.64) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL27779740 0.77 HTR2C (0.68) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL6920081 0.77 KDM4E (0.67) KDM4EBRD4ALDH1A1POLBCREBBP
Hydrochloric Acid SCHEMBL9287350 0.77 HTR2C (0.57) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL5705116 0.76 KDM4E (0.78) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL28594057 0.75 HTR2C (0.74) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL807343 0.75 HTR2C (0.74) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL9703349 0.74 HTR2C (0.59) 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
WO-1992012977-A1 SUBSTITUTED INDOLES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1992-08-06 WO disclosed
US-5124332-A Dopaminergic agents, hypotensive agents WARNER-LAMBERT COMPANY (US) 1992-06-23 US disclosed