SCHEMBL8696336

SCHEMBL8696336

c1ccc(CCN2CCCCC2CCn2ccnc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 1/20 0.47
CYP19A1 P11511 4/20 0.46
TBXAS1 P24557 3/20 0.46
OPRD1 P41143 1/20 0.45
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
QPCT Q16769 1/20 0.43
CYP4Z1 Q86W10 1/20 0.43
QPCTL Q9NXS2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL8542041 0.93 CYP19A1 (0.45) HMOX1CYP19A1TBXAS1CYP1A2POLB
Hydrochloric Acid SCHEMBL8698587 0.92 TBXAS1 (0.46) HMOX1CYP19A1TBXAS1CYP1A2POLB
SCHEMBL8698471 0.92 HMOX1 (0.46) HMOX1CYP19A1TBXAS1
SCHEMBL8699423 0.87 CYP19A1 (0.47) HMOX1CYP19A1TBXAS1
SCHEMBL8696858 0.83 TBXAS1 (0.55) CYP19A1TBXAS1MAPTMEN1KMT2A
SCHEMBL8701384 0.83 TBXAS1 (0.61) TBXAS1MEN1KMT2A
SCHEMBL8696869 0.83 TP53 (0.46) CYP19A1TBXAS1CYP11B1CYP11B2MEN1
SCHEMBL8700931 0.82 CYP19A1 (0.46) HMOX1CYP19A1TBXAS1CYP11B1CYP11B2
SCHEMBL9261150 0.82 SLC6A2 (0.41) KMT2A
SCHEMBL8699135 0.82 TBXAS1 (0.58) CYP19A1TBXAS1MEN1KMT2A

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