SCHEMBL6967967

SCHEMBL6967967

O=C1NCCN1C(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(F)c(F)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 3/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MGLL Q99685 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
PGR P06401 3/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL10669247 0.68 ALOX5 (0.38) ALDH1A1KDM4ECYP11B1CYP11B2PARP10
SCHEMBL17513248 0.67 ALOX5 (0.39) ALDH1A1KDM4EMAPTCYP1A2POLB
SCHEMBL2552043 0.66 CYP11B1 (0.48) ALDH1A1KDM4EMAPTCYP1A2CYP3A4
SCHEMBL7212006 0.65 SLC6A2 (0.35) KCNN4ALDH1A1KDM4ETSHR
SCHEMBL6967969 0.62 KCNN4 (0.34) KCNN4
Acetic Acid SCHEMBL20507018 0.61 KDM4E (0.50) KDM4EMAPTNPC1SMN1; SMN2RAB9A
SCHEMBL3847454 0.60 MAOB (0.40) KCNN4ALDH1A1KDM4ECYP11B1CYP11B2
SCHEMBL4909469 0.60 HTR7 (0.58)
SCHEMBL15797017 0.60 HSD17B1 (0.46) ALDH1A1KDM4EMAPTCYP1A2CYP11B1
SCHEMBL17806545 0.60 KIF11 (0.48) ALDH1A1CYP11B1CYP11B2TSHRNPC1

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
EP-0988295-A4 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2003-08-13 EP disclosed
EP-0988295-A1 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-03-29 EP disclosed
WO-1998057940-A1 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-12-23 WO disclosed