SCHEMBL2074309

SCHEMBL2074309

C1=CC(N2CCCCC2)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
CHRNA7 P36544 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR2A P28223 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MBTD1 Q05BQ5 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
HTR6 P50406 1/20 0.34
P2RX1 P51575 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX4 Q99571 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RECQL P46063 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL8992002 0.98 CHRNA7 (0.37) TSHRCHRNA7HTR2AL3MBTL1MBTD1
SCHEMBL3714891 0.80 KDM4E (0.34) CHRNA7HTR2AHTR6ALDH1A1KDM4E
SCHEMBL14011022 0.78 TSHR (0.38) TSHRCYP2D6L3MBTL1L3MBTL3P2RX1
SCHEMBL4858135 0.78 TSHR (0.38) TSHRCYP2D6L3MBTL1L3MBTL3P2RX1
SCHEMBL4858132 0.78 TSHR (0.38) TSHRCYP2D6L3MBTL1L3MBTL3P2RX1
SCHEMBL4855756 0.75 TSHR (0.36) TSHRCHRNA7CYP2D6L3MBTL1MBTD1
SCHEMBL4855750 0.75 TSHR (0.36) TSHRCHRNA7CYP2D6L3MBTL1MBTD1
SCHEMBL14011232 0.75 TSHR (0.36) TSHRCHRNA7CYP2D6L3MBTL1MBTD1
SCHEMBL2519261 0.74 TSHR (0.44) TSHRCYP2D6CYP2C19ALDH1A1USP2
SCHEMBL11798735 0.72 HTR6 (0.44) CHRNA7HTR2AHTR6

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118164913-A Indenopiperidine derivatives, and preparation method and application thereof 浙江大学 2024-06-11 CN claimed
CN-118164913-A Indenopiperidine derivatives, and preparation method and application thereof 浙江大学 2024-06-11 CN disclosed
CN-118164913-A Indenopiperidine derivatives, and preparation method and application thereof 浙江大学 2024-06-11 CN disclosed
US-7863294-B2 Heterocycle derivatives as histone deacetylase (HDAC) inhibitors INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-01-04 US disclosed
CN-1091288-A The oxytocin antagonist OTSUKA PHARMA CO LTD (JP) 1994-08-31 CN disclosed
EP-0110521-B1 PHENYLINDENE DERIVATIVES, ACID ADDITION SALTS THEREOF, AND METHODS OF PREPARATION KEFALAS A/S (DK) 1988-10-12 EP disclosed
US-4525360-A Anti-psychotic phenylindene derivatives and acid addition salts thereof KEFALAS A/S (DK) 1985-06-25 US disclosed
EP-0110521-A2 Phenylindene derivatives, acid addition salts thereof, and methods of preparation KEFALAS A/S (DK) 1984-06-13 EP disclosed