SCHEMBL9181560

SCHEMBL9181560

CN(C)CC1(O)CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.55
TOP2A P11388 6/20 0.51
TOP2B Q02880 6/20 0.51
ALDH1A1 P00352 4/20 0.51
POLB P06746 2/20 0.51
OPRM1 P35372 2/20 0.51
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
OPRD1 P41143 1/20 0.51
KDM4E B2RXH2 4/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
PRKD3 O94806 1/20 0.49
ALOX15 P16050 1/20 0.49
CLK2 P49760 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 1/20 0.46
MAPT P10636 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
Hydrochloric Acid SCHEMBL9175252 0.99 KCNH2 (0.54) KCNH2TOP2ATOP2BALDH1A1POLB
SCHEMBL9179667 0.91 KCNH2 (0.56) KCNH2TOP2ATOP2BALDH1A1POLB
SCHEMBL9377634 0.89 KCNH2 (0.55) KCNH2TOP2ATOP2BALDH1A1POLB
SCHEMBL9179692 0.89 KCNH2 (0.66) KCNH2TOP2ATOP2BALDH1A1POLB
Hydrochloric Acid SCHEMBL9177705 0.88 KCNH2 (0.65) KCNH2TOP2ATOP2BALDH1A1POLB
Hydrochloric Acid SCHEMBL10516093 0.88 KCNH2 (0.42) KCNH2TOP2ATOP2BALDH1A1POLB
SCHEMBL9718093 0.88 KCNH2 (0.55) KCNH2TOP2ATOP2BALDH1A1POLB
SCHEMBL9176663 0.88 KCNH2 (0.55) KCNH2TOP2ATOP2BALDH1A1POLB
SCHEMBL9179612 0.87 KCNH2 (0.55) KCNH2TOP2ATOP2BALDH1A1POLB
Hydrochloric Acid SCHEMBL9176810 0.87 KCNH2 (0.54) KCNH2TOP2ATOP2BALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5173484-A Animal growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1992-12-22 US claimed
US-5453422-A Animal growth promoters BAYER AKTIENGESELLSCHAFT (DE) 1995-09-26 US disclosed
US-5284842-A Active against gramnegative bacteria BAYER AKTIENGESELLSCHAFT (DE) 1994-02-08 US disclosed
US-5173484-A Animal growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1992-12-22 US disclosed