SCHEMBL8892977

SCHEMBL8892977

O=C1CC2(C1)CN(Cc1ccccc1)C2

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
CYP2D6 P10635 7/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
USP2 O75604 1/20 0.51
SIGMAR1 Q99720 2/20 0.50
CYP3A4 P08684 2/20 0.47
TSHR P16473 2/20 0.46
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
ELANE P08246 1/20 0.44
CTSG P08311 1/20 0.44
CMA1 P23946 1/20 0.44
CTRC Q99895 1/20 0.44

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
SCHEMBL27798357 0.84 SIGMAR1 (0.62) GAACYP2D6MEN1KMT2AUSP2
SCHEMBL6749044 0.82 CYP2D6 (0.57) GAACYP2D6MEN1KMT2AUSP2
SCHEMBL26086670 0.81 GAA (0.54) GAACYP2D6MEN1KMT2AUSP2
SCHEMBL26086748 0.77 CYP2D6 (0.48) GAACYP2D6MEN1KMT2AUSP2
SCHEMBL23727894 0.77 SIGMAR1 (0.54) GAACYP2D6MEN1KMT2AUSP2
SCHEMBL31230946 0.77 CYP2D6 (0.61) GAACYP2D6MEN1KMT2AUSP2
SCHEMBL3464617 0.77 CYP2D6 (0.61) GAACYP2D6MEN1KMT2AUSP2
SCHEMBL14089988 0.76 MC4R (0.58) GAACYP2D6MEN1KMT2AUSP2
SCHEMBL17706684 0.76 SIGMAR1 (0.52) GAACYP2D6MEN1KMT2AUSP2
SCHEMBL31230966 0.76 CYP2D6 (0.59) GAACYP2D6MEN1KMT2AUSP2

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
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US disclosed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 WO disclosed