SCHEMBL8698749

SCHEMBL8698749

c1ccc(CCCC2CCNC(CCn3ccnc3)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 2/20 0.41
CYP19A1 P11511 3/20 0.41
TBXAS1 P24557 4/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
QPCT Q16769 1/20 0.40
CYP4Z1 Q86W10 1/20 0.40
QPCTL Q9NXS2 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL8701883 0.80 CYP19A1 (0.40) CYP19A1POLBMAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL8701149 0.80 CYP19A1 (0.39) CYP19A1POLBMAPTKDM4EALDH1A1
SCHEMBL8696473 0.78 SIGMAR1 (0.46) HMOX1CYP19A1TBXAS1CYP1A2POLB
SCHEMBL8545945 0.76 HMOX1 (0.41) HMOX1CYP19A1TBXAS1CYP1A2POLB
SCHEMBL8539454 0.76 HRH3 (0.51) CYP2D6
SCHEMBL8698745 0.74 CYP24A1 (0.37) CYP19A1
SCHEMBL8538300 0.74 GRIN2B (0.54)
SCHEMBL9030985 0.73 HRH3 (0.51) CYP2D6
SCHEMBL8545375 0.73 SIGMAR1 (0.59) HMOX1CYP1A2CYP3A4CYP2D6
SCHEMBL8545836 0.73 HRH3 (0.53) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5741800-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS KNOLL AKTIENGESELLACHAFT (DE) 1998-04-21 US disclosed