SCHEMBL7305085

SCHEMBL7305085

O=C(O)C(Cc1ccccc1)Cn1ccnc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.61
CYP1A2 P05177 2/20 0.54
CYP19A1 P11511 4/20 0.53
POLB P06746 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.53
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
TBXAS1 P24557 1/20 0.53
QPCT Q16769 1/20 0.53
CYP4Z1 Q86W10 1/20 0.53
QPCTL Q9NXS2 1/20 0.53
AGTR2 P50052 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
HMOX2 P30519 1/20 0.49

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
SCHEMBL7305090 1.00 HRH4 (0.61) HRH4CYP1A2CYP19A1POLBCYP3A4
SCHEMBL9556789 1.00 HRH4 (0.61) HRH4CYP1A2CYP19A1POLBCYP3A4
SCHEMBL9556344 0.89 HRH4 (0.58) HRH4CYP1A2CYP19A1POLBCYP3A4
SCHEMBL6978364 0.87 CYP19A1 (0.54) HRH4CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL8532853 0.84 HRH4 (0.60) HRH4CYP1A2CYP19A1POLBCYP3A4
SCHEMBL9556665 0.84 HRH4 (0.60) HRH4AGTR2
SCHEMBL10772703 0.82 TBXAS1 (0.66) CYP19A1TBXAS1SMN1; SMN2
SCHEMBL8536371 0.82 HRH4 (0.58) HRH4CYP19A1AGTR2
SCHEMBL11634738 0.80 AGER (0.58) CYP1A2CYP19A1POLBCYP3A4CYP2D6
SCHEMBL11286358 0.80 CYP11B1 (0.61) HRH4CYP1A2CYP19A1POLBCYP3A4

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
US-5258362-A Enzyme inhibitors, amides with oxetane ring ABBOTT LABORATORIES (US) 1993-11-02 US disclosed
US-5063208-A Cardiovascular disorders, vision defects ABBOTT LABORATORIES (US) 1991-11-05 US disclosed
EP-0410260-A2 Peptidyl aminodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-01-30 EP disclosed