SCHEMBL11007797

SCHEMBL11007797

CN1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3CCF)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.67
▸ CYP2C9 P11712 1/20 0.67
▸ ATP6V1B2 P21281 1/20 0.67
▸ TBXA2R P21731 1/20 0.67
▸ EDNRA P25101 1/20 0.67
▸ TARBP2 Q15633 1/20 0.67
▸ KDM4E B2RXH2 7/20 0.64
▸ ALDH1A1 P00352 5/20 0.64
▸ DRD3 P35462 1/20 0.56
▸ HPGD P15428 4/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ ADRA2B P18089 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HSD17B10 Q99714 4/20 0.46
▸ DPP4 P27487 3/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ DRD1 P21728 1/20 0.45
▸ EPHA2 P29317 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
SCHEMBL4904141 0.92 LMNA (0.79) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL11013455 0.91 LMNA (0.69) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL11006503 0.88 LMNA (0.81) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9147435 0.85 LMNA (0.58) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8044673 0.83 LMNA (0.79) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9044893 0.83 KMT2A (0.67) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9775969 0.83 ALDH1A1 (0.67) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL11153426 0.83 LMNA (0.82) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL11196749 0.83 LMNA (0.56) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL11198791 0.83 LMNA (0.56) LMNACYP2C9ATP6V1B2TBXA2REDNRA

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
JP-57106681-A — — None — — JP disclosed
US-4496566-A ANTIBACTERIAL AGENT DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1985-01-29 — — US disclosed
JP-S57106681-A 1,8-NAPHTHYRIDINE DERIVATIVE AND ITS SALT DAINIPPON PHARMACEUT CO LTD 1982-07-02 — — JP disclosed
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