SCHEMBL10658450

SCHEMBL10658450

CC1C(N)CCN1c1nc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 6/20 0.61
▸ CHRM2 P08172 2/20 0.54
▸ DRD1 P21728 1/20 0.54
▸ KDM4E B2RXH2 3/20 0.51
▸ LMNA P02545 3/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ ABCC4 O15439 1/20 0.51
▸ TOP2A P11388 3/20 0.49
▸ TOP2B Q02880 3/20 0.49
▸ DHFR P00374 1/20 0.48
▸ KMT2A Q03164 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.45
▸ POLB P06746 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ OPRM1 P35372 1/20 0.45
▸ OPRD1 P41143 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ ATP6V1B2 P21281 1/20 0.45
▸ TBXA2R P21731 1/20 0.45
▸ EDNRA P25101 1/20 0.45

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 SCHEMBL10652843 0.99 DPP4 (0.60) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9146376 0.91 DPP4 (0.65) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9146820 0.91 DPP4 (0.65) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9146813 0.91 DPP4 (0.65) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL4575128 0.89 DPP4 (0.59) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9182951 0.84 DPP4 (0.59) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9044640 0.84 DPP4 (0.60) DPP4CHRM2DRD1KDM4ELMNA
Hydrochloric Acid SCHEMBL10655119 0.83 DPP4 (0.59) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL8385866 0.83 DPP4 (0.74) DPP4CHRM2DRD1KDM4ELMNA
Hydrochloric Acid SCHEMBL20394711 0.83 DPP4 (0.59) DPP4CHRM2DRD1KDM4ELMNA

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
EP-0132845-B1 NOVEL 1,8-NAPHTHYRIDINE DERIVATIVES, AND PROCESS FOR PREPARATION THEREOF Dainippon Pharmaceutical Co., Ltd. (JP) 1988-04-13 — — EP disclosed
US-4649144-A Antibacterial 7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid derivatives DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1987-03-10 — — US disclosed
EP-0132845-A2 Novel 1,8-Naphthyridine derivatives, and process for preparation thereof Dainippon Pharmaceutical Co., Ltd. (JP) 1985-02-13 — — EP disclosed
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