SCHEMBL9685910

SCHEMBL9685910

CC1(CF)CN(c2ccccc2)CCN1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.42
DRD2 P14416 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
MAPT P10636 4/20 0.39
KDM4E B2RXH2 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 1/20 0.38
DRD4 P21917 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GFER P55789 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.36
RAD52 P43351 1/20 0.36
MAPK1 P28482 2/20 0.36

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
SCHEMBL9685878 0.79 MAPT (0.43) MAPTLMNAALDH1A1TSHRKMT2A
SCHEMBL9686812 0.76 HTR1A (0.48) MAPTKDM4EALDH1A1GAAHSD17B10
SCHEMBL10413242 0.75 MAPK1 (0.41) DRD2DRD4ALDH1A1TSHRHSD17B10
SCHEMBL22857712 0.66 CYP3A4 (0.50) CHRNA7ALDH1A1TSHRHSD17B10HPGD
SCHEMBL164538 0.65 LMNA (0.67) CHRNA7DRD2SIGMAR1MAPTLMNA
SCHEMBL385012 0.65
SCHEMBL16924853 0.65 LMNA (0.67) CHRNA7DRD2SIGMAR1MAPTLMNA
SCHEMBL576454 0.65 LMNA (0.67) CHRNA7DRD2SIGMAR1MAPTLMNA
SCHEMBL576814 0.65 LMNA (0.67) CHRNA7DRD2SIGMAR1MAPTLMNA
SCHEMBL9975643 0.65 CHRNA7 (0.46) CHRNA7DRD2SIGMAR1ALDH1A1TSHR

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