SCHEMBL9867237

SCHEMBL9867237

CN1CC2CCCC1CN2c1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.55
TOP2B Q02880 6/20 0.55
KCNH2 Q12809 5/20 0.52
ALDH1A1 P00352 4/20 0.52
POLB P06746 2/20 0.52
OPRM1 P35372 2/20 0.52
CHRM2 P08172 1/20 0.52
CHRM1 P11229 1/20 0.52
OPRD1 P41143 1/20 0.52
KDM4E B2RXH2 3/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 2/20 0.51
PRKD3 O94806 1/20 0.51
ALOX15 P16050 1/20 0.51
CLK2 P49760 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.48

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
SCHEMBL9669484 0.97 TOP2A (0.58) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL9865679 0.92 ALDH1A1 (0.61) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL9376194 0.91 TOP2A (0.56) TOP2ATOP2BKCNH2ALDH1A1POLB
Hydrochloric Acid SCHEMBL9837318 0.90 TOP2A (0.55) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL9670688 0.88 ALDH1A1 (0.65) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL9866403 0.87 KDM4E (0.58) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9864929 0.85 KCNH2 (0.54) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL9669492 0.84 TOP2A (0.43) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL9838764 0.84 KDM4E (0.59) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL9669412 0.83 ALDH1A1 (0.62) TOP2ATOP2BKCNH2ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992546-A Process for preparing 6,8-diazabicyclo[3.2.2]nonane derivatives WARNER-LAMBERT COMPANY (US) 1991-02-12 US disclosed
US-4968799-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1990-11-06 US disclosed
US-4962108-A A QUIN-4-ONE HAVING THE FOLLOWING RING SUBSTITUENTS; 1-ALKYL OR PHENYL, 3-CARBOXY DERIVATIVE, 6-FLUORO AND 8-BRIDGED N-HETEROCYCLIC RING WARNER-LAMBERT COMPANY (US) 1990-10-09 US disclosed
US-4923879-A CARBOXYLIC ACID DERIVATIVES WITH BRIDGED SIDECHAINS WARNER-LAMBERT COMPANY (US) 1990-05-08 US disclosed
EP-0305744-A2 Quinoline, naphthyridine and benzoxazine-carboxylic acid derivatives and their use as antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-03-08 EP disclosed