SCHEMBL9685878

SCHEMBL9685878

CC1(CCC(=O)O)CN(c2ccccc2)CCN1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MMP2 P08253 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
ALDH1A1 P00352 4/20 0.40
CYP2C19 P33261 3/20 0.40
MAPK1 P28482 2/20 0.40
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
CYP3A4 P08684 2/20 0.40
HIF1A Q16665 2/20 0.40
CYP2C9 P11712 1/20 0.40
AKR1C3 P42330 1/20 0.40
APEX1 P27695 1/20 0.40
FFAR1 O14842 1/20 0.39
USP2 O75604 2/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL9685910 0.79 CHRNA7 (0.42) MAPTLMNAALDH1A1MAPK1HTR1A
SCHEMBL10413242 0.76 MAPK1 (0.41) ALDH1A1CYP2C19MAPK1CYP3A4HIF1A
SCHEMBL9686812 0.74 HTR1A (0.48) MAPTALDH1A1HTR1AHTR7USP2
SCHEMBL28958389 0.72 MAPT (0.41) MAPTLMNANPSR1MMP2ADAMTS5
SCHEMBL2114983 0.67 HTR1A (0.73) MAPTLMNAALDH1A1HTR1AHTR7
Hydrochloric Acid SCHEMBL9811592 0.66 HTR1A (0.71) MAPTLMNAALDH1A1HTR1AHTR7
SCHEMBL27786793 0.66 MAPT (0.78) MAPTLMNANPSR1ALDH1A1HTR1A
SCHEMBL22857712 0.66 CYP3A4 (0.50) ALDH1A1CYP2C19MAPK1CYP3A4HIF1A
SCHEMBL8045431 0.65 KCNH2 (0.69) HTR1AHTR7
SCHEMBL4432092 0.65 HDAC1 (0.63) MAPTLMNANPSR1ALDH1A1CYP2C19

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 6 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-4965273-A Certain 1-tertiary-butyl-naphthyridone carboxylic acid derivatives anti-bacterial agents BRISTOL-MYERS COMPANY (US) 1990-10-23 US 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
EP-0266576-A2 1-Tert-alkyl-substituted naphthyridine and quinoline carboxylic acids as antibacterial agents Bristol-Myers Squibb Company (US) 1988-05-11 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