SCHEMBL10656743

SCHEMBL10656743

CCC1CN(Cc2ccccc2)CC1N

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.49
▸ GBA1 P04062 1/20 0.49
▸ FUCA1 P04066 2/20 0.49
▸ S1PR5 Q9H228 2/20 0.46
▸ S1PR1 P21453 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ ACHE P22303 1/20 0.45
▸ RORC P51449 1/20 0.44
▸ MC4R P32245 1/20 0.43
▸ CCR5 P51681 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42

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
SCHEMBL4364228 0.88 FUCA1 (0.50) DPP4GBA1FUCA1S1PR5S1PR1
SCHEMBL1338175 0.86 ACHE (0.53) DPP4SIGMAR1ACHECCR5
SCHEMBL8224568 0.85 RORC (0.56) DPP4GBA1FUCA1S1PR5S1PR1
SCHEMBL5836807 0.84 FUCA1 (0.60) DPP4GBA1FUCA1S1PR5S1PR1
SCHEMBL19327458 0.84 FUCA1 (0.60) DPP4GBA1FUCA1S1PR5S1PR1
SCHEMBL7575241 0.84 FUCA1 (0.60) DPP4GBA1FUCA1S1PR5S1PR1
SCHEMBL16553579 0.83 DPP4 (0.49) DPP4GBA1FUCA1S1PR5S1PR1
SCHEMBL19098820 0.83 GBA1 (0.65) DPP4GBA1FUCA1S1PR5S1PR1
SCHEMBL19083303 0.83 GBA1 (0.65) DPP4GBA1FUCA1S1PR5S1PR1
SCHEMBL7813142 0.83 GBA1 (0.65) DPP4GBA1FUCA1S1PR5S1PR1

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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