SCHEMBL7500958

SCHEMBL7500958

CC1(N)CCCN(Cc2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.56
ALDH1A1 P00352 3/20 0.50
SIGMAR1 Q99720 2/20 0.49
TSHR P16473 6/20 0.49
CYP3A4 P08684 6/20 0.49
GAA P10253 1/20 0.49
POLB P06746 1/20 0.48
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL17163357 0.90 CYP3A4 (0.53) CYP2D6ALDH1A1SIGMAR1TSHRCYP3A4
SCHEMBL950871 0.90 CYP3A4 (0.53) CYP2D6ALDH1A1SIGMAR1TSHRCYP3A4
SCHEMBL13201397 0.90 CYP3A4 (0.53) CYP2D6ALDH1A1SIGMAR1TSHRCYP3A4
Hydrochloric Acid SCHEMBL1036101 0.89 CYP3A4 (0.51) CYP2D6ALDH1A1SIGMAR1TSHRCYP3A4
SCHEMBL22254433 0.86 ALDH1A1 (0.47) CYP2D6ALDH1A1SIGMAR1TSHRPOLB
SCHEMBL2284694 0.83 CYP2D6 (0.59) CYP2D6ALDH1A1SIGMAR1TSHRCYP3A4
SCHEMBL867675 0.83 GAA (0.62) CYP2D6SIGMAR1TSHRCYP3A4GAA
SCHEMBL25542043 0.82 KCNH2 (0.50) CYP2D6ALDH1A1SIGMAR1TSHRPOLB
SCHEMBL24315810 0.81 CYP2D6 (0.56) CYP2D6ALDH1A1SIGMAR1TSHRCYP3A4
SCHEMBL6378751 0.81 CYP2D6 (0.57) CYP2D6ALDH1A1SIGMAR1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723545-B1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LAB (US) 2002-05-08 EP disclosed
CN-1053188-C Quinolizinone type compounds ABBOTT LAB (US) 2000-06-07 CN disclosed
EP-0871628-A1 QUINOLIZINONE TYPE COMPOUNDS Abbott Laboratories (US) 1998-10-21 EP disclosed
US-5726182-A TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1998-03-10 US disclosed
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
CN-1137273-A Quinolizinone type compounds ABBOTT LAB (US) 1996-12-04 CN disclosed
US-5580872-A ADMINISTERING IN THE TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1996-12-03 US disclosed
EP-0723545-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-07-31 EP disclosed
WO-1995010519-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1995-04-20 WO disclosed