SCHEMBL9725299

SCHEMBL9725299

CCCCCCCC(CC)C(Br)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.41
KCNH2 Q12809 2/20 0.39
HTR2A P28223 1/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
CYP19A1 P11511 3/20 0.37
ALDH1A1 P00352 1/20 0.37
CNR2 P34972 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CTSG P08311 1/20 0.36
CTRB1 P17538 1/20 0.36
CMA1 P23946 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
FDPS P14324 1/20 0.36
LCK P06239 1/20 0.35

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
SCHEMBL14533743 0.80 CSNK1E (0.40) CSNK1EKCNH2HTR2APRSS1PRSS2
SCHEMBL28724613 0.80 MEN1 (0.45) CSNK1EPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL11177019 0.80 CSNK1E (0.41) CSNK1EKCNH2HTR2APRSS1ALDH1A1
SCHEMBL29780652 0.79 CSNK1E (0.44) CSNK1EKCNH2HTR2APRSS1PRSS2
SCHEMBL29160983 0.79 CSNK1E (0.44) CSNK1EKCNH2HTR2APRSS1PRSS2
SCHEMBL28515832 0.78 PRSS1 (0.40) CSNK1EPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL14533922 0.78 CSNK1E (0.35) CSNK1EHTR2APRSS1PRSS2PRSS3
Phosphine SCHEMBL28856691 0.76 MEN1 (0.41) CSNK1EKCNH2HTR2AMEN1KMT2A
Phosphine SCHEMBL2673731 0.76 MEN1 (0.41) CSNK1EKCNH2HTR2AMEN1KMT2A
Phosphine SCHEMBL10797446 0.76 MEN1 (0.41) CSNK1EKCNH2HTR2AMEN1KMT2A

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
US-5166205-A DERIVATIVES OF 1-DIPHENYLMETHYL PIPERAZINE AND THEIR USE AS ANTIHISTAMINES LABORATORIOS DEL DR. ESTEVE, S. A. (ES) 1992-11-24 US disclosed