SCHEMBL28858764

SCHEMBL28858764

C[C](C)CN1CCN(c2ccc(C(F)(F)F)cc2Oc2ncccn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRPK1 Q96SB4 16/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX12 P18054 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL28211515 0.83 SLC6A4 (0.46) SRPK1TSHRMAPT
SCHEMBL28042824 0.78 MAPT (0.39) SRPK1TSHRLMNAALOX5APFEN1
SCHEMBL28179555 0.76 CHRM4 (0.43) SRPK1ALDH1A1TSHRLMNAKDM4E
SCHEMBL28242219 0.75 CHRM4 (0.42) SRPK1ALDH1A1LMNAKDM4EMAPT
SCHEMBL28227117 0.74 CHRM4 (0.41) SRPK1ALDH1A1LMNAKDM4EMAPT
SCHEMBL28227118 0.73 CHRM4 (0.41) SRPK1ALDH1A1TSHRLMNAKDM4E
Tert-Butyl Formate SCHEMBL28042825 0.73 NCF1 (0.45) ALDH1A1ALOX5APFEN1MAPT
SCHEMBL28129056 0.70 MGLL (0.49) SRPK1ALDH1A1TSHRKDM4EMAPT
SCHEMBL28227933 0.69 SRPK1 (0.43) SRPK1ALDH1A1TSHRLMNANPSR1
SCHEMBL28849570 0.68 MGLL (0.60) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105461635-B Phenylpiperazine derivatives and its application method and purposes 乳源瑶族自治县大众药品贸易有限公司 2018-06-08 CN disclosed