SCHEMBL9181492

SCHEMBL9181492

CN(C)CC1(O)CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 6/20 0.54
▸ CHRM2 P08172 1/20 0.54
▸ DRD1 P21728 1/20 0.54
▸ LMNA P02545 4/20 0.51
▸ KDM4E B2RXH2 4/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ ABCC4 O15439 1/20 0.51
▸ DHFR P00374 1/20 0.48
▸ CYP2C9 P11712 2/20 0.47
▸ ATP6V1B2 P21281 1/20 0.47
▸ TBXA2R P21731 1/20 0.47
▸ EDNRA P25101 1/20 0.47
▸ TARBP2 Q15633 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ KCNH2 Q12809 1/20 0.44
▸ TOP2A P11388 2/20 0.43
▸ TOP2B Q02880 2/20 0.43
▸ KMT2A Q03164 1/20 0.43

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 SCHEMBL9175323 0.99 DPP4 (0.53) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9379622 0.90 DPP4 (0.54) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9717969 0.83 KMT2A (0.60) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL4575143 0.83 DPP4 (0.60) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL9256214 0.83 KMT2A (0.59) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9181560 0.82 KCNH2 (0.55) CHRM2LMNAKDM4EHSD17B10ALDH1A1
SCHEMBL9378137 0.82 DPP4 (0.59) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL10652952 0.82 DPP4 (0.59) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9572096 0.82 DPP4 (0.62) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9181505 0.82 DPP4 (0.57) DPP4CHRM2DRD1LMNAKDM4E

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-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
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