SCHEMBL9687137

SCHEMBL9687137

C=C(C)N1CCC(=O)c2cc(F)c(N3CCNCC3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ MAPT P10636 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ LMNA P02545 4/20 0.41
▸ GAA P10253 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CYP2J2 P51589 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ OPRL1 P41146 2/20 0.36
▸ TOP2A P11388 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ TOP2B Q02880 1/20 0.36
▸ CRBN Q96SW2 1/20 0.35
▸ KDR P35968 1/20 0.33

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
SCHEMBL29724110 0.78 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL28294663 0.78 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL28776450 0.75 TOP2A (0.50) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL29724074 0.75 TOP2A (0.50) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL28510399 0.73 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL8257500 0.66 TSHR (0.57) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL8257529 0.66 TSHR (0.54) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL6582872 0.65 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL22536096 0.65 TOP2A (0.43) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL10329748 0.64 ADRB1 (0.52) ALDH1A1MAPTSMN1; SMN2LMNAGAA

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
EP-0288519-A4 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS — 1992-04-15 — — EP disclosed
US-4954507-A 1-tertiary-alkyl-substituted naphthyridine carboxylic acid antibacterial agents BRISTOL-MYERS COMPANY (US) 1990-09-04 — — US disclosed
EP-0288519-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS Bristol-Myers Squibb Company (US) 1988-11-02 — — EP disclosed
WO-1988002627-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS BRISTOL-MYERS COMPANY (US) 1988-04-21 — — WO disclosed
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